(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide

C18H28N2O3S — CID 95118826

IUPAC(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-17(15-10-8-14(3)9-11-15)19-18(21)16-7-6-12-20(13-16)24(22,23)5-2/h8-11,16-17H,4-7,12-13H2,1-3H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyRZACZLGBFFMMIF-IAGOWNOFSA-N
MW352.50 g/mol
LogP2.62
Rot. Bonds6

About (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide

(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 95118826) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
PubChem CID95118826
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-17(15-10-8-14(3)9-11-15)19-18(21)16-7-6-12-20(13-16)24(22,23)5-2/h8-11,16-17H,4-7,12-13H2,1-3H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyRZACZLGBFFMMIF-IAGOWNOFSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
1-(dimethylsulfamoyl)-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 43876701
(3S)-1-ethylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 125042948
N-[1-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43909641
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 99130957
(3S)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042906
(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 95118292
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
(3S)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118347
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
(3R)-N-[(1S)-1-phenylpropyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019844
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide (CID 95118826) is (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide is CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(C)cc1.
What is the InChIKey of (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is RZACZLGBFFMMIF-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-17(15-10-8-14(3)9-11-15)19-18(21)16-7-6-12-20(13-16)24(22,23)5-2/h8-11,16-17H,4-7,12-13H2,1-3H3,(H,19,21)/t16-,17-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide?
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 95118826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).