(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide

C18H22N2O3S — CID 95194931

IUPAC(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H22N2O3S/c1-2-24(22,23)20-11-5-8-16(13-20)18(21)19-17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16H,2,5,8,11,13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyLXFSDALOKZGCQW-MRXNPFEDSA-N
MW346.45 g/mol
LogP2.84
Rot. Bonds4

About (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide

(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide (PubChem CID 95194931) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
PubChem CID95194931
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H22N2O3S/c1-2-24(22,23)20-11-5-8-16(13-20)18(21)19-17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16H,2,5,8,11,13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyLXFSDALOKZGCQW-MRXNPFEDSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447080
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
(3S)-N-(1,2-benzothiazol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 125048783
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
(3R)-N-(1,3-benzodioxol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447151
(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447175

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide (CID 95194931) is (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide?
The InChIKey is LXFSDALOKZGCQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-24(22,23)20-11-5-8-16(13-20)18(21)19-17-10-9-14-6-3-4-7-15(14)12-17/h3-4,6-7,9-10,12,16H,2,5,8,11,13H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide?
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 95194931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).