(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide

C20H23ClN4O4S — CID 41064753

IUPAC(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccncc1
InChIInChI=1S/C20H23ClN4O4S/c21-17-3-5-18(6-4-17)30(28,29)25-11-1-2-16(14-25)20(27)24-13-19(26)23-12-15-7-9-22-10-8-15/h3-10,16H,1-2,11-14H2,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyNXYILSXDEPSZOY-MRXNPFEDSA-N
MW450.95 g/mol
LogP1.57
Rot. Bonds7

About (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide

(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 41064753) has the molecular formula C20H23ClN4O4S and a molecular weight of 450.95 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide
PubChem CID41064753
Molecular FormulaC20H23ClN4O4S
Molecular Weight450.95 g/mol
Exact Mass450.11
IUPAC Name(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccncc1
InChIInChI=1S/C20H23ClN4O4S/c21-17-3-5-18(6-4-17)30(28,29)25-11-1-2-16(14-25)20(27)24-13-19(26)23-12-15-7-9-22-10-8-15/h3-10,16H,1-2,11-14H2,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyNXYILSXDEPSZOY-MRXNPFEDSA-N
XLogP1.57
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 41062254
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-3-carboxamide
CID 41063292
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 6495109
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549718
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide (CID 41064753) is (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide is O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccncc1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is NXYILSXDEPSZOY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23ClN4O4S/c21-17-3-5-18(6-4-17)30(28,29)25-11-1-2-16(14-25)20(27)24-13-19(26)23-12-15-7-9-22-10-8-15/h3-10,16H,1-2,11-14H2,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 450.95 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 41064753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).