1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide

C22H35N3O3S — CID 60573630

IUPAC1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCC1CC(C)CN(CC(C)NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C22H35N3O3S/c1-17-13-18(2)15-24(14-17)16-19(3)23-22(26)21-11-7-8-12-25(21)29(27,28)20-9-5-4-6-10-20/h4-6,9-10,17-19,21H,7-8,11-16H2,1-3H3,(H,23,26)
InChIKeyMJJGJBHGYNRAKD-UHFFFAOYSA-N
MW421.61 g/mol
LogP2.71
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 60573630) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
PubChem CID60573630
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCC1CC(C)CN(CC(C)NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C22H35N3O3S/c1-17-13-18(2)15-24(14-17)16-19(3)23-22(26)21-11-7-8-12-25(21)29(27,28)20-9-5-4-6-10-20/h4-6,9-10,17-19,21H,7-8,11-16H2,1-3H3,(H,23,26)
InChIKeyMJJGJBHGYNRAKD-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide
CID 154840231
(2S)-N-[(2R)-4-(4-aminophenoxy)butan-2-yl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 59100240
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
(2R)-N-[(2S)-butan-2-yl]-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 51933897

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide (CID 60573630) is 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide is CC1CC(C)CN(CC(C)NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is MJJGJBHGYNRAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-17-13-18(2)15-24(14-17)16-19(3)23-22(26)21-11-7-8-12-25(21)29(27,28)20-9-5-4-6-10-20/h4-6,9-10,17-19,21H,7-8,11-16H2,1-3H3,(H,23,26).
What are the key properties of 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 421.61 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 60573630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).