N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C19H28N2O3S — CID 78816047

IUPACN-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/c1-2-25(23,24)21-14-12-19(13-15-21,16-8-4-3-5-9-16)18(22)20-17-10-6-7-11-17/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,20,22)
InChIKeyLXGWDKRMDCQMQI-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.43
Rot. Bonds5

About N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 78816047) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID78816047
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/c1-2-25(23,24)21-14-12-19(13-15-21,16-8-4-3-5-9-16)18(22)20-17-10-6-7-11-17/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,20,22)
InChIKeyLXGWDKRMDCQMQI-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
1-ethylsulfonyl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 78844325
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237
1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide
CID 4963605
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78840882
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-cycloheptyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperidine-4-carboxamide
CID 30837376
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 78816047) is N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)(c2ccccc2)CC1.
What is the InChIKey of N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is LXGWDKRMDCQMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-2-25(23,24)21-14-12-19(13-15-21,16-8-4-3-5-9-16)18(22)20-17-10-6-7-11-17/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78816047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).