(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide

C16H24N2O3S — CID 41447063

IUPAC(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-13-7-9-15(10-8-13)17-16(19)14-6-5-11-18(12-14)22(20,21)4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyMNDAEYUOLVKGRF-CQSZACIVSA-N
MW324.45 g/mol
LogP2.25
Rot. Bonds5

About (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide

(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 41447063) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID41447063
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-13-7-9-15(10-8-13)17-16(19)14-6-5-11-18(12-14)22(20,21)4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyMNDAEYUOLVKGRF-CQSZACIVSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
(3S)-N-(4-ethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641457
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447175
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 92641729
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 17018131
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 126397151
(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 94782531
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide (CID 41447063) is (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide is CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1.
What is the InChIKey of (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is MNDAEYUOLVKGRF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-13-7-9-15(10-8-13)17-16(19)14-6-5-11-18(12-14)22(20,21)4-2/h7-10,14H,3-6,11-12H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41447063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).