N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C21H23N3O3S — CID 78816005

IUPACN-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3S/c1-2-28(26,27)24-14-12-21(13-15-24,18-6-4-3-5-7-18)20(25)23-19-10-8-17(16-22)9-11-19/h3-11H,2,12-15H2,1H3,(H,23,25)
InChIKeyYZPRBUHNFPAXNS-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.88
Rot. Bonds5

About N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 78816005) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID78816005
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3S/c1-2-28(26,27)24-14-12-21(13-15-24,18-6-4-3-5-7-18)20(25)23-19-10-8-17(16-22)9-11-19/h3-11H,2,12-15H2,1H3,(H,23,25)
InChIKeyYZPRBUHNFPAXNS-UHFFFAOYSA-N
XLogP2.88
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 139002277
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-ethylsulfonyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 112819680
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
CID 26289781
(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide
CID 95100675
1-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816371

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 78816005) is N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)(c2ccccc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is YZPRBUHNFPAXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-28(26,27)24-14-12-21(13-15-24,18-6-4-3-5-7-18)20(25)23-19-10-8-17(16-22)9-11-19/h3-11H,2,12-15H2,1H3,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78816005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).