1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide

C21H33ClN4O3S — CID 55724375

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
SMILESCC1CCN(CCCCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1
InChIInChI=1S/C21H33ClN4O3S/c1-17-6-13-25(14-7-17)12-3-2-10-24-21(27)18-8-15-26(16-9-18)30(28,29)19-5-4-11-23-20(19)22/h4-5,11,17-18H,2-3,6-10,12-16H2,1H3,(H,24,27)
InChIKeyQAOHNQRASGOLJB-UHFFFAOYSA-N
MW457.04 g/mol
LogP2.76
Rot. Bonds8

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide (PubChem CID 55724375) has the molecular formula C21H33ClN4O3S and a molecular weight of 457.04 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
PubChem CID55724375
Molecular FormulaC21H33ClN4O3S
Molecular Weight457.04 g/mol
Exact Mass456.20
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
SMILESCC1CCN(CCCCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1
InChIInChI=1S/C21H33ClN4O3S/c1-17-6-13-25(14-7-17)12-3-2-10-24-21(27)18-8-15-26(16-9-18)30(28,29)19-5-4-11-23-20(19)22/h4-5,11,17-18H,2-3,6-10,12-16H2,1H3,(H,24,27)
InChIKeyQAOHNQRASGOLJB-UHFFFAOYSA-N
XLogP2.76
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.04
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 55511990
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
CID 55903667
N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 50928010
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55859758
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 86961302
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide (CID 55724375) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide is CC1CCN(CCCCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
The InChIKey is QAOHNQRASGOLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN4O3S/c1-17-6-13-25(14-7-17)12-3-2-10-24-21(27)18-8-15-26(16-9-18)30(28,29)19-5-4-11-23-20(19)22/h4-5,11,17-18H,2-3,6-10,12-16H2,1H3,(H,24,27).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide has a molecular weight of 457.04 g/mol, XLogP of 2.76, 8 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-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 55724375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).