1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

C18H25ClN4O4S — CID 55511990

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C18H25ClN4O4S/c19-17-15(4-3-8-20-17)28(26,27)23-12-6-14(7-13-23)18(25)21-9-5-16(24)22-10-1-2-11-22/h3-4,8,14H,1-2,5-7,9-13H2,(H,21,25)
InChIKeyWLJWXTUZMPAXTO-UHFFFAOYSA-N
MW428.94 g/mol
LogP1.26
Rot. Bonds6

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 55511990) has the molecular formula C18H25ClN4O4S and a molecular weight of 428.94 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID55511990
Molecular FormulaC18H25ClN4O4S
Molecular Weight428.94 g/mol
Exact Mass428.13
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C18H25ClN4O4S/c19-17-15(4-3-8-20-17)28(26,27)23-12-6-14(7-13-23)18(25)21-9-5-16(24)22-10-1-2-11-22/h3-4,8,14H,1-2,5-7,9-13H2,(H,21,25)
InChIKeyWLJWXTUZMPAXTO-UHFFFAOYSA-N
XLogP1.26
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55724375
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
CID 55903667
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 50928010
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55859758
N-(5-chloro-2-piperidin-1-ylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 38705262
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 86961302

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (CID 55511990) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCC(=O)N1CCCC1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is WLJWXTUZMPAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O4S/c19-17-15(4-3-8-20-17)28(26,27)23-12-6-14(7-13-23)18(25)21-9-5-16(24)22-10-1-2-11-22/h3-4,8,14H,1-2,5-7,9-13H2,(H,21,25).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 428.94 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55511990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).