N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C28H32N2O4S — CID 43916267

IUPACN-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C28H32N2O4S/c31-28(29-26-15-17-27(18-16-26)34-22-24-11-5-2-6-12-24)25-14-7-19-30(21-25)35(32,33)20-8-13-23-9-3-1-4-10-23/h1-6,9-12,15-18,25H,7-8,13-14,19-22H2,(H,29,31)
InChIKeyXMCJRYQVJQXFKH-UHFFFAOYSA-N
MW492.64 g/mol
LogP4.88
Rot. Bonds10

About N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 43916267) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
PubChem CID43916267
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC NameN-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1
InChIInChI=1S/C28H32N2O4S/c31-28(29-26-15-17-27(18-16-26)34-22-24-11-5-2-6-12-24)25-14-7-19-30(21-25)35(32,33)20-8-13-23-9-3-1-4-10-23/h1-6,9-12,15-18,25H,7-8,13-14,19-22H2,(H,29,31)
InChIKeyXMCJRYQVJQXFKH-UHFFFAOYSA-N
XLogP4.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916521
(3R)-1-(3-phenylpropylsulfonyl)-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 94864145
(3R)-N-(3-methoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 99949692
1-(3-phenylpropylsulfonyl)-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43908136
(3S)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94864406
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
(3S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94864358
(3S)-N-(2,6-difluorophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28579455
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
(3S)-N-(2,3-dimethylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28566089
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 133187702
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 2979703

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 43916267) is N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCCN(S(=O)(=O)CCCc2ccccc2)C1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is XMCJRYQVJQXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c31-28(29-26-15-17-27(18-16-26)34-22-24-11-5-2-6-12-24)25-14-7-19-30(21-25)35(32,33)20-8-13-23-9-3-1-4-10-23/h1-6,9-12,15-18,25H,7-8,13-14,19-22H2,(H,29,31).
What are the key properties of N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide?
N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 492.64 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43916267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).