2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

C121H154BrClF9N17O9 — CID 159578142

IUPAC2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(Br)cn3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccccc2)c2ccc(C(F)(F)F)nc2)CCN1C(=O)CC1CCN(C(N)=O)CC1.CC(C)[C@H]1CN(C(c2ccc(Cl)cc2)c2cccc3ccccc23)CCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C32H39ClN4O2.C30H38BrF3N4O3.C30H39F3N4O2.C29H38F3N5O2/c1-22(2)29-21-36(18-19-37(29)30(38)20-23-14-16-35(17-15-23)32(34)39)31(25-10-12-26(33)13-11-25)28-9-5-7-24-6-3-4-8-27(24)28;1-20(39)36-13-11-21(12-14-36)17-27(40)38-16-15-37(19-26(38)29(2,3)4)28(25-10-7-23(31)18-35-25)22-5-8-24(9-6-22)41-30(32,33)34;1-21(38)35-14-12-22(13-15-35)18-27(39)37-17-16-36(20-26(37)29(2,3)4)28(23-8-6-5-7-9-23)24-10-11-25(34-19-24)30(31,32)33;1-28(2,3)24-19-36(15-16-37(24)25(38)17-20-11-13-35(14-12-20)27(33)39)26(21-7-5-4-6-8-21)22-9-10-23(34-18-22)29(30,31)32/h3-13,22-23,29,31H,14-21H2,1-2H3,(H2,34,39);5-10,18,21,26,28H,11-17,19H2,1-4H3;5-11,19,22,26,28H,12-18,20H2,1-4H3;4-10,18,20,24,26H,11-17,19H2,1-3H3,(H2,33,39)/t29-,31?;2*26-,28?;24-,26?/m1111/s1
InChIKeyMIQYUYLOWQUASU-ODYFWYNJSA-N
MW2277.01 g/mol
LogP22.30
Rot. Bonds22

About 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 159578142) has the molecular formula C121H154BrClF9N17O9 and a molecular weight of 2277.01 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID159578142
Molecular FormulaC121H154BrClF9N17O9
Molecular Weight2277.01 g/mol
Exact Mass2274.08
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(Br)cn3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccccc2)c2ccc(C(F)(F)F)nc2)CCN1C(=O)CC1CCN(C(N)=O)CC1.CC(C)[C@H]1CN(C(c2ccc(Cl)cc2)c2cccc3ccccc23)CCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C32H39ClN4O2.C30H38BrF3N4O3.C30H39F3N4O2.C29H38F3N5O2/c1-22(2)29-21-36(18-19-37(29)30(38)20-23-14-16-35(17-15-23)32(34)39)31(25-10-12-26(33)13-11-25)28-9-5-7-24-6-3-4-8-27(24)28;1-20(39)36-13-11-21(12-14-36)17-27(40)38-16-15-37(19-26(38)29(2,3)4)28(25-10-7-23(31)18-35-25)22-5-8-24(9-6-22)41-30(32,33)34;1-21(38)35-14-12-22(13-15-35)18-27(39)37-17-16-36(20-26(37)29(2,3)4)28(23-8-6-5-7-9-23)24-10-11-25(34-19-24)30(31,32)33;1-28(2,3)24-19-36(15-16-37(24)25(38)17-20-11-13-35(14-12-20)27(33)39)26(21-7-5-4-6-8-21)22-9-10-23(34-18-22)29(30,31)32/h3-13,22-23,29,31H,14-21H2,1-2H3,(H2,34,39);5-10,18,21,26,28H,11-17,19H2,1-4H3;5-11,19,22,26,28H,12-18,20H2,1-4H3;4-10,18,20,24,26H,11-17,19H2,1-3H3,(H2,33,39)/t29-,31?;2*26-,28?;24-,26?/m1111/s1
InChIKeyMIQYUYLOWQUASU-ODYFWYNJSA-N
XLogP22.30
TPSA275.38 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002277.01
LogP ≤ 522.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(2-methylpropyl)piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-2-tert-butylpiperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 157779330
[4-[2-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-methylborinic acid
CID 159061380
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(2-methylpropyl)piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 160316702
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone;4-[2-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 160551488
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;4-[2-[(2S)-4-[bis[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 160823515
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethanone);4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 161103580
tris([4-[2-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-methylborinic acid);methane
CID 161353288
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;bis(2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethanone);4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-oxo-2-[(2S)-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]-2-propan-2-ylpiperazin-1-yl]ethyl]piperidine-1-carboxamide
CID 161502338
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(4-chlorophenyl)-quinolin-8-ylmethyl]-2-propan-2-ylpiperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 161825652
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethanone;bis(4-[2-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide)
CID 161368012

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (CID 159578142) is 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(Br)cn3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccccc2)c2ccc(C(F)(F)F)nc2)CCN1C(=O)CC1CCN(C(N)=O)CC1.CC(C)[C@H]1CN(C(c2ccc(Cl)cc2)c2cccc3ccccc23)CCN1C(=O)CC1CCN(C(N)=O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is MIQYUYLOWQUASU-ODYFWYNJSA-N. The full InChI is InChI=1S/C32H39ClN4O2.C30H38BrF3N4O3.C30H39F3N4O2.C29H38F3N5O2/c1-22(2)29-21-36(18-19-37(29)30(38)20-23-14-16-35(17-15-23)32(34)39)31(25-10-12-26(33)13-11-25)28-9-5-7-24-6-3-4-8-27(24)28;1-20(39)36-13-11-21(12-14-36)17-27(40)38-16-15-37(19-26(38)29(2,3)4)28(25-10-7-23(31)18-35-25)22-5-8-24(9-6-22)41-30(32,33)34;1-21(38)35-14-12-22(13-15-35)18-27(39)37-17-16-36(20-26(37)29(2,3)4)28(23-8-6-5-7-9-23)24-10-11-25(34-19-24)30(31,32)33;1-28(2,3)24-19-36(15-16-37(24)25(38)17-20-11-13-35(14-12-20)27(33)39)26(21-7-5-4-6-8-21)22-9-10-23(34-18-22)29(30,31)32/h3-13,22-23,29,31H,14-21H2,1-2H3,(H2,34,39);5-10,18,21,26,28H,11-17,19H2,1-4H3;5-11,19,22,26,28H,12-18,20H2,1-4H3;4-10,18,20,24,26H,11-17,19H2,1-3H3,(H2,33,39)/t29-,31?;2*26-,28?;24-,26?/m1111/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 2277.01 g/mol, XLogP of 22.30, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-tert-butylpiperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;4-[2-[(2S)-2-tert-butyl-4-[phenyl-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide;4-[2-[(2S)-4-[(4-chlorophenyl)-naphthalen-1-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 159578142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).