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

C119H151Cl2F12N15O10 — CID 161103580

IUPAC2-(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
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccc(Cl)cc2)c2ccc(C(F)(F)F)nc2)CCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C30H38ClF3N4O2.2C30H38F3N3O3.C29H37ClF3N5O2/c1-20(39)36-13-11-21(12-14-36)17-27(40)38-16-15-37(19-26(38)29(2,3)4)28(22-5-8-24(31)9-6-22)23-7-10-25(35-18-23)30(32,33)34;2*1-21(2)27-20-35(17-18-36(27)28(38)19-23-13-15-34(16-14-23)22(3)37)29(24-7-5-4-6-8-24)25-9-11-26(12-10-25)39-30(31,32)33;1-28(2,3)24-18-37(14-15-38(24)25(39)16-19-10-12-36(13-11-19)27(34)40)26(20-4-7-22(30)8-5-20)21-6-9-23(35-17-21)29(31,32)33/h5-10,18,21,26,28H,11-17,19H2,1-4H3;2*4-12,21,23,27,29H,13-20H2,1-3H3;4-9,17,19,24,26H,10-16,18H2,1-3H3,(H2,34,40)/t26-,28?;2*27-,29?;24-,26?/m1111/s1
InChIKeyUITHLYPXRSWGQZ-XOSXURGLSA-N
MW2250.49 g/mol
LogP22.62
Rot. Bonds24

About 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

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 (PubChem CID 161103580) has the molecular formula C119H151Cl2F12N15O10 and a molecular weight of 2250.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161103580
Molecular FormulaC119H151Cl2F12N15O10
Molecular Weight2250.49 g/mol
Exact Mass2248.10
IUPAC Name2-(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
SMILESCC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccc(Cl)cc2)c2ccc(C(F)(F)F)nc2)CCN1C(=O)CC1CCN(C(N)=O)CC1
InChIInChI=1S/C30H38ClF3N4O2.2C30H38F3N3O3.C29H37ClF3N5O2/c1-20(39)36-13-11-21(12-14-36)17-27(40)38-16-15-37(19-26(38)29(2,3)4)28(22-5-8-24(31)9-6-22)23-7-10-25(35-18-23)30(32,33)34;2*1-21(2)27-20-35(17-18-36(27)28(38)19-23-13-15-34(16-14-23)22(3)37)29(24-7-5-4-6-8-24)25-9-11-26(12-10-25)39-30(31,32)33;1-28(2,3)24-18-37(14-15-38(24)25(39)16-19-10-12-36(13-11-19)27(34)40)26(20-4-7-22(30)8-5-20)21-6-9-23(35-17-21)29(31,32)33/h5-10,18,21,26,28H,11-17,19H2,1-4H3;2*4-12,21,23,27,29H,13-20H2,1-3H3;4-9,17,19,24,26H,10-16,18H2,1-3H3,(H2,34,40)/t26-,28?;2*27-,29?;24-,26?/m1111/s1
InChIKeyUITHLYPXRSWGQZ-XOSXURGLSA-N
XLogP22.62
TPSA245.70 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.49
LogP ≤ 522.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide
CID 90699601
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
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
2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-thiophen-3-ylmethyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-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-[(2S)-2-tert-butyl-4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 159785806
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;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)-thiophen-3-ylmethyl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[(2S)-2-tert-butyl-4-[(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-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-[(2S)-2-tert-butyl-4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 162062569
N-[(2R)-3-[4-[[(2S)-2-[[2-(4-chlorophenyl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-methylphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(5-methyl-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(6-methyl-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 167554959
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 137423683

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)C)CC1.CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccccc3)c3ccc(OC(F)(F)F)cc3)C[C@@H]2C(C)C)CC1.CC(C)(C)[C@H]1CN(C(c2ccc(Cl)cc2)c2ccc(C(F)(F)F)nc2)CCN1C(=O)CC1CCN(C(N)=O)CC1.
What is the InChIKey of 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?
The InChIKey is UITHLYPXRSWGQZ-XOSXURGLSA-N. The full InChI is InChI=1S/C30H38ClF3N4O2.2C30H38F3N3O3.C29H37ClF3N5O2/c1-20(39)36-13-11-21(12-14-36)17-27(40)38-16-15-37(19-26(38)29(2,3)4)28(22-5-8-24(31)9-6-22)23-7-10-25(35-18-23)30(32,33)34;2*1-21(2)27-20-35(17-18-36(27)28(38)19-23-13-15-34(16-14-23)22(3)37)29(24-7-5-4-6-8-24)25-9-11-26(12-10-25)39-30(31,32)33;1-28(2,3)24-18-37(14-15-38(24)25(39)16-19-10-12-36(13-11-19)27(34)40)26(20-4-7-22(30)8-5-20)21-6-9-23(35-17-21)29(31,32)33/h5-10,18,21,26,28H,11-17,19H2,1-4H3;2*4-12,21,23,27,29H,13-20H2,1-3H3;4-9,17,19,24,26H,10-16,18H2,1-3H3,(H2,34,40)/t26-,28?;2*27-,29?;24-,26?/m1111/s1.
What are the key properties of 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?
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 has a molecular weight of 2250.49 g/mol, XLogP of 22.62, 24 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161103580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).