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

C23H30N2O3S — CID 78816373

IUPAC1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(C)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-29(27,28)25-16-14-23(15-17-25,21-8-6-5-7-9-21)22(26)24(3)18-20-12-10-19(2)11-13-20/h5-13H,4,14-18H2,1-3H3
InChIKeyFSMUQKSVCLTREI-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.34
Rot. Bonds6

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

1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 78816373) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID78816373
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(C)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-29(27,28)25-16-14-23(15-17-25,21-8-6-5-7-9-21)22(26)24(3)18-20-12-10-19(2)11-13-20/h5-13H,4,14-18H2,1-3H3
InChIKeyFSMUQKSVCLTREI-UHFFFAOYSA-N
XLogP3.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 155568445
2-[3-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
CID 71622670
4-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzamide
CID 86302482
2-(4-Benzyl-1-piperidyl)-2-oxo-1-phenyl-ethanesulfonic acid
CID 124115198
1-(4-Biphenylylcarbonyl)-4-(ethylsulfonyl)piperazine
CID 1151587
(4-Phenylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 1151712
N-benzyl-4-phenyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 2965918
2-[4-[4-[(Dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone
CID 44588348
2-[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-N,N-dipropylacetamide
CID 44588349
4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 4787864
N-[4-(1-Acetyl-piperidin-4-yl)-2-fluoro-benzyl]-C-phenyl-N-(2,2,2-trifluoro-ethyl)-methanesulfonamide
CID 86690649
US9751873, Example 115
CID 118223101

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide (CID 78816373) is 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(C)cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is FSMUQKSVCLTREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-4-29(27,28)25-16-14-23(15-17-25,21-8-6-5-7-9-21)22(26)24(3)18-20-12-10-19(2)11-13-20/h5-13H,4,14-18H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 78816373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).