1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride

C19H30ClN3O3S — CID 119557408

IUPAC1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O3S.ClH/c23-19(21-12-10-16-6-4-11-20-14-16)17-7-5-13-22(15-17)26(24,25)18-8-2-1-3-9-18;/h1-3,8-9,16-17,20H,4-7,10-15H2,(H,21,23);1H
InChIKeyFQKDLKKZRWNPOU-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.02
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride

1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119557408) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119557408
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H29N3O3S.ClH/c23-19(21-12-10-16-6-4-11-20-14-16)17-7-5-13-22(15-17)26(24,25)18-8-2-1-3-9-18;/h1-3,8-9,16-17,20H,4-7,10-15H2,(H,21,23);1H
InChIKeyFQKDLKKZRWNPOU-UHFFFAOYSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557104
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535630
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119559231
N-[2-[1-(benzenesulfonyl)pyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136491
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650
N-(2-piperidin-3-ylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119555682
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119554911
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 134025693

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride (CID 119557408) is 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is FQKDLKKZRWNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c23-19(21-12-10-16-6-4-11-20-14-16)17-7-5-13-22(15-17)26(24,25)18-8-2-1-3-9-18;/h1-3,8-9,16-17,20H,4-7,10-15H2,(H,21,23);1H.
What are the key properties of 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride?
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119557408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).