N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

C14H20N2O3S — CID 103307088

IUPACN-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C14H20N2O3S/c1-2-20(18,19)16-13(17)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,17)
InChIKeySYNKFBGPRMSUPT-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.77
Rot. Bonds4

About N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (PubChem CID 103307088) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
PubChem CID103307088
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C14H20N2O3S/c1-2-20(18,19)16-13(17)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,17)
InChIKeySYNKFBGPRMSUPT-UHFFFAOYSA-N
XLogP0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
CID 115597355
N-(2-ethylcyclopropyl)-4-phenylpiperidine-4-carboxamide
CID 103796857
4-phenyl-N-piperazin-1-ylpiperidine-4-carboxamide
CID 70118904
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N-[(4-methylphenyl)methylsulfonyl]-1-phenylcyclobutane-1-carboxamide
CID 130327235
N-[(3S)-3-methylsulfanylbutyl]-4-phenylpiperidine-4-carboxamide
CID 124575017
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide (CID 103307088) is N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)NC(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is SYNKFBGPRMSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-20(18,19)16-13(17)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,17).
What are the key properties of N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide?
N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 103307088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).