4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C32H36F3N7O5S — CID 134085125

IUPAC4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)C(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C32H36F3N7O5S/c33-32(34,35)24-6-8-25(9-7-24)37-31(44)41-16-17-42(48(45,46)27-10-11-29(36-22-27)39-18-20-47-21-19-39)28(23-41)30(43)40-14-12-38(13-15-40)26-4-2-1-3-5-26/h1-11,22,28H,12-21,23H2,(H,37,44)
InChIKeyCONBHILBRRHUBZ-UHFFFAOYSA-N
MW687.75 g/mol
LogP3.19
Rot. Bonds6

About 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 134085125) has the molecular formula C32H36F3N7O5S and a molecular weight of 687.75 g/mol. Its IUPAC name is 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID134085125
Molecular FormulaC32H36F3N7O5S
Molecular Weight687.75 g/mol
Exact Mass687.25
IUPAC Name4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)C(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C32H36F3N7O5S/c33-32(34,35)24-6-8-25(9-7-24)37-31(44)41-16-17-42(48(45,46)27-10-11-29(36-22-27)39-18-20-47-21-19-39)28(23-41)30(43)40-14-12-38(13-15-40)26-4-2-1-3-5-26/h1-11,22,28H,12-21,23H2,(H,37,44)
InChIKeyCONBHILBRRHUBZ-UHFFFAOYSA-N
XLogP3.19
TPSA118.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500687.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-(morpholine-4-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 134085235
4-acetyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide;hydrochloride
CID 67412551
4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085061
[1-(benzenesulfonyl)piperidin-2-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 43019033
4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085066
N-(4-ethoxyphenyl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-3-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 134085242
4-(5-chlorothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085076
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1484987
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304

Frequently Asked Questions

What is the IUPAC name of 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 134085125) is 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)C(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is CONBHILBRRHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N7O5S/c33-32(34,35)24-6-8-25(9-7-24)37-31(44)41-16-17-42(48(45,46)27-10-11-29(36-22-27)39-18-20-47-21-19-39)28(23-41)30(43)40-14-12-38(13-15-40)26-4-2-1-3-5-26/h1-11,22,28H,12-21,23H2,(H,37,44).
What are the key properties of 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 687.75 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 134085125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).