(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H22N2O2S — CID 95087584

IUPAC(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H22N2O2S/c1-19(18(23)20-13-15-7-3-2-4-8-15)10-6-11-21(14-19)17(22)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,20,23)/t19-/m1/s1
InChIKeyDMEBHTLLSXSTAV-LJQANCHMSA-N
MW342.46 g/mol
LogP3.31
Rot. Bonds4

About (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 95087584) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID95087584
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESC[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H22N2O2S/c1-19(18(23)20-13-15-7-3-2-4-8-15)10-6-11-21(14-19)17(22)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,20,23)/t19-/m1/s1
InChIKeyDMEBHTLLSXSTAV-LJQANCHMSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
(3S)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088354
(3R)-N-benzyl-3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 95088355
(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 93071245
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 95087584) is (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is DMEBHTLLSXSTAV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-19(18(23)20-13-15-7-3-2-4-8-15)10-6-11-21(14-19)17(22)16-9-5-12-24-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,20,23)/t19-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95087584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).