(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C21H32N2O3S — CID 92680091

IUPAC(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C1CCCC1
InChIInChI=1S/C21H32N2O3S/c1-22(20-13-5-6-14-20)21(24)19-12-7-15-23(17-19)27(25,26)16-8-11-18-9-3-2-4-10-18/h2-4,9-10,19-20H,5-8,11-17H2,1H3/t19-/m1/s1
InChIKeyABEWTBVGYQKUHK-LJQANCHMSA-N
MW392.57 g/mol
LogP3.06
Rot. Bonds7

About (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 92680091) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID92680091
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C1CCCC1
InChIInChI=1S/C21H32N2O3S/c1-22(20-13-5-6-14-20)21(24)19-12-7-15-23(17-19)27(25,26)16-8-11-18-9-3-2-4-10-18/h2-4,9-10,19-20H,5-8,11-17H2,1H3/t19-/m1/s1
InChIKeyABEWTBVGYQKUHK-LJQANCHMSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30384764
(3S)-N,N-dimethyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30384770
(3R)-N-[(4-chlorophenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92683172
[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 38015366
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675555
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675556
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 46770435
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
(4-benzylpiperazin-1-yl)-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 28633070
1-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 92675959

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 92680091) is (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is CN(C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C1CCCC1.
What is the InChIKey of (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is ABEWTBVGYQKUHK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-22(20-13-5-6-14-20)21(24)19-12-7-15-23(17-19)27(25,26)16-8-11-18-9-3-2-4-10-18/h2-4,9-10,19-20H,5-8,11-17H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
(3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 92680091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).