(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide

C18H26N2O2 — CID 93071246

IUPAC(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-8-16(21)20-12-7-11-18(2,14-20)17(22)19-13-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeyLOKXJZFJZGZOSN-GOSISDBHSA-N
MW302.42 g/mol
LogP2.73
Rot. Bonds5

About (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide

(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide (PubChem CID 93071246) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
PubChem CID93071246
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-8-16(21)20-12-7-11-18(2,14-20)17(22)19-13-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeyLOKXJZFJZGZOSN-GOSISDBHSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 93071245
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3R)-N-benzyl-3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95087584
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide (CID 93071246) is (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide is CCCC(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide?
The InChIKey is LOKXJZFJZGZOSN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-8-16(21)20-12-7-11-18(2,14-20)17(22)19-13-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3,(H,19,22)/t18-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide?
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 93071246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).