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

C20H32N4O3S — CID 50928010

IUPACN-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2N2CCCCC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-2-3-11-22-20(25)17-9-15-24(16-10-17)28(26,27)18-8-7-12-21-19(18)23-13-5-4-6-14-23/h7-8,12,17H,2-6,9-11,13-16H2,1H3,(H,22,25)
InChIKeyHHFSRVQLELYNBK-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.39
Rot. Bonds7

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

N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide (PubChem CID 50928010) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
PubChem CID50928010
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC NameN-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2N2CCCCC2)CC1
InChIInChI=1S/C20H32N4O3S/c1-2-3-11-22-20(25)17-9-15-24(16-10-17)28(26,27)18-8-7-12-21-19(18)23-13-5-4-6-14-23/h7-8,12,17H,2-6,9-11,13-16H2,1H3,(H,22,25)
InChIKeyHHFSRVQLELYNBK-UHFFFAOYSA-N
XLogP2.39
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 50841322
N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
CID 50842301
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55724375
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 55511990
methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 42990230
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide (CID 50928010) is N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2N2CCCCC2)CC1.
What is the InChIKey of N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is HHFSRVQLELYNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-2-3-11-22-20(25)17-9-15-24(16-10-17)28(26,27)18-8-7-12-21-19(18)23-13-5-4-6-14-23/h7-8,12,17H,2-6,9-11,13-16H2,1H3,(H,22,25).
What are the key properties of N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide?
N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 50928010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).