1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

C27H34N4O3S — CID 46466984

IUPAC1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1
InChIInChI=1S/C27H34N4O3S/c1-21-10-14-30(15-11-21)20-25-8-3-2-7-24(25)19-29-27(32)22-12-16-31(17-13-22)35(33,34)26-9-5-4-6-23(26)18-28/h2-9,21-22H,10-17,19-20H2,1H3,(H,29,32)
InChIKeyJZCRHOJITDJLJA-UHFFFAOYSA-N
MW494.66 g/mol
LogP3.51
Rot. Bonds7

About 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 46466984) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID46466984
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1
InChIInChI=1S/C27H34N4O3S/c1-21-10-14-30(15-11-21)20-25-8-3-2-7-24(25)19-29-27(32)22-12-16-31(17-13-22)35(33,34)26-9-5-4-6-23(26)18-28/h2-9,21-22H,10-17,19-20H2,1H3,(H,29,32)
InChIKeyJZCRHOJITDJLJA-UHFFFAOYSA-N
XLogP3.51
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46476797
1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 41264253
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 38092473
(4S)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092560
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 27333469
1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide
CID 24504654
2-[(2-cyanophenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143151
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 39970958
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (CID 46466984) is 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is CC1CCN(Cc2ccccc2CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is JZCRHOJITDJLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-21-10-14-30(15-11-21)20-25-8-3-2-7-24(25)19-29-27(32)22-12-16-31(17-13-22)35(33,34)26-9-5-4-6-23(26)18-28/h2-9,21-22H,10-17,19-20H2,1H3,(H,29,32).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46466984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).