1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide

C24H31ClN4O3S — CID 55846332

IUPAC1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cn2)CC1
InChIInChI=1S/C24H31ClN4O3S/c1-18-10-13-28(14-11-18)23-9-4-19(15-26-23)16-27-24(30)20-3-2-12-29(17-20)33(31,32)22-7-5-21(25)6-8-22/h4-9,15,18,20H,2-3,10-14,16-17H2,1H3,(H,27,30)
InChIKeyPATNNLMJGAUCJC-UHFFFAOYSA-N
MW491.06 g/mol
LogP3.69
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide (PubChem CID 55846332) has the molecular formula C24H31ClN4O3S and a molecular weight of 491.06 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
PubChem CID55846332
Molecular FormulaC24H31ClN4O3S
Molecular Weight491.06 g/mol
Exact Mass490.18
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cn2)CC1
InChIInChI=1S/C24H31ClN4O3S/c1-18-10-13-28(14-11-18)23-9-4-19(15-26-23)16-27-24(30)20-3-2-12-29(17-20)33(31,32)22-7-5-21(25)6-8-22/h4-9,15,18,20H,2-3,10-14,16-17H2,1H3,(H,27,30)
InChIKeyPATNNLMJGAUCJC-UHFFFAOYSA-N
XLogP3.69
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.06
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
1-(benzenesulfonyl)-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55801257
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549718
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111131703
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
(3S)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562313
(3R)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562311
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide
CID 41064753

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide (CID 55846332) is 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide is CC1CCN(c2ccc(CNC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cn2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
The InChIKey is PATNNLMJGAUCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3S/c1-18-10-13-28(14-11-18)23-9-4-19(15-26-23)16-27-24(30)20-3-2-12-29(17-20)33(31,32)22-7-5-21(25)6-8-22/h4-9,15,18,20H,2-3,10-14,16-17H2,1H3,(H,27,30).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide has a molecular weight of 491.06 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55846332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).