1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide

C17H24N2O3S — CID 78816036

IUPAC1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C17H24N2O3S/c1-3-12-18-16(20)17(15-8-6-5-7-9-15)10-13-19(14-11-17)23(21,22)4-2/h3,5-9H,1,4,10-14H2,2H3,(H,18,20)
InChIKeyZNIJWHKOUIHMIA-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.67
Rot. Bonds6

About 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide

1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 78816036) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID78816036
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C17H24N2O3S/c1-3-12-18-16(20)17(15-8-6-5-7-9-15)10-13-19(14-11-17)23(21,22)4-2/h3,5-9H,1,4,10-14H2,2H3,(H,18,20)
InChIKeyZNIJWHKOUIHMIA-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
N-(4-cyanophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816005
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 78852985
1-ethylsulfonyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119514618
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816293

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide (CID 78816036) is 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is ZNIJWHKOUIHMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-12-18-16(20)17(15-8-6-5-7-9-15)10-13-19(14-11-17)23(21,22)4-2/h3,5-9H,1,4,10-14H2,2H3,(H,18,20).
What are the key properties of 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide?
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 78816036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).