1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide

C22H28N2O4S — CID 78816293

IUPAC1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2cccc(OC)c2)(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-3-29(26,27)24-14-12-22(13-15-24,19-9-5-4-6-10-19)21(25)23-17-18-8-7-11-20(16-18)28-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,23,25)
InChIKeyBCLQMICDSRBWBC-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.69
Rot. Bonds7

About 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide

1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 78816293) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID78816293
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2cccc(OC)c2)(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-3-29(26,27)24-14-12-22(13-15-24,19-9-5-4-6-10-19)21(25)23-17-18-8-7-11-20(16-18)28-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,23,25)
InChIKeyBCLQMICDSRBWBC-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78887706
1-ethylsulfonyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 78852985
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-4-phenylpiperidine-4-carboxamide
CID 78816447
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
1-ethylsulfonyl-4-phenyl-N-prop-2-enylpiperidine-4-carboxamide
CID 78816036
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
N-[2-(2,6-dimethylphenoxy)ethyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78878249
1-ethylsulfonyl-4-phenyl-N-(3-phenylprop-2-ynyl)piperidine-4-carboxamide
CID 78841149
1-ethylsulfonyl-4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78902535
N-[(2R)-2-(ethylamino)propyl]-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 120651988
N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide
CID 53110439

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide (CID 78816293) is 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(OC)c2)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is BCLQMICDSRBWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-29(26,27)24-14-12-22(13-15-24,19-9-5-4-6-10-19)21(25)23-17-18-8-7-11-20(16-18)28-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,23,25).
What are the key properties of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78816293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).