N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C25H34N2O3S — CID 43909641

IUPACN-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C)cc1
InChIInChI=1S/C25H34N2O3S/c1-3-24(22-15-13-20(2)14-16-22)26-25(28)23-12-7-17-27(19-23)31(29,30)18-8-11-21-9-5-4-6-10-21/h4-6,9-10,13-16,23-24H,3,7-8,11-12,17-19H2,1-2H3,(H,26,28)
InChIKeyKTICDBUURDPDHU-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.24
Rot. Bonds9

About N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 43909641) has the molecular formula C25H34N2O3S and a molecular weight of 442.63 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID43909641
Molecular FormulaC25H34N2O3S
Molecular Weight442.63 g/mol
Exact Mass442.23
IUPAC NameN-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C)cc1
InChIInChI=1S/C25H34N2O3S/c1-3-24(22-15-13-20(2)14-16-22)26-25(28)23-12-7-17-27(19-23)31(29,30)18-8-11-21-9-5-4-6-10-21/h4-6,9-10,13-16,23-24H,3,7-8,11-12,17-19H2,1-2H3,(H,26,28)
InChIKeyKTICDBUURDPDHU-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1S)-1-phenylpropyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019844
(3R)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 100762490
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125049400
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
(3S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92685862
(3S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 38012103
(3R)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92684371
1-(dimethylsulfamoyl)-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 43876701
(3S)-1-ethylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 125042948
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 43909641) is N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is CCC(NC(=O)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is KTICDBUURDPDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3S/c1-3-24(22-15-13-20(2)14-16-22)26-25(28)23-12-7-17-27(19-23)31(29,30)18-8-11-21-9-5-4-6-10-21/h4-6,9-10,13-16,23-24H,3,7-8,11-12,17-19H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 442.63 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43909641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).