(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C19H30N2O3S — CID 30382241

IUPAC(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C19H30N2O3S/c1-2-3-13-20-19(22)18-12-7-14-21(16-18)25(23,24)15-8-11-17-9-5-4-6-10-17/h4-6,9-10,18H,2-3,7-8,11-16H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyHYUHURBBAGOAEH-SFHVURJKSA-N
MW366.53 g/mol
LogP2.58
Rot. Bonds9

About (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 30382241) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID30382241
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C19H30N2O3S/c1-2-3-13-20-19(22)18-12-7-14-21(16-18)25(23,24)15-8-11-17-9-5-4-6-10-17/h4-6,9-10,18H,2-3,7-8,11-16H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyHYUHURBBAGOAEH-SFHVURJKSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
(3R)-N-[3-(4-fluorophenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28632952
(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076
(3S)-N-[3-(2-ethoxyphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019320
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
(3S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92675182
N-(2-phenylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133239662
(3R)-N-[(3-methylphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94016222
N-[2-(2-chlorophenoxy)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133239657
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
(3R)-N-[(1S)-1-phenylpropyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019844

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 30382241) is (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1.
What is the InChIKey of (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is HYUHURBBAGOAEH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-2-3-13-20-19(22)18-12-7-14-21(16-18)25(23,24)15-8-11-17-9-5-4-6-10-17/h4-6,9-10,18H,2-3,7-8,11-16H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 30382241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).