(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide

C14H20N2O — CID 120616011

IUPAC(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2)CCN1
InChIInChI=1S/C14H20N2O/c1-11-9-13(7-8-15-11)14(17)16-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyYMYXCCSZUXZJMT-AAEUAGOBSA-N
MW232.33 g/mol
LogP1.69
Rot. Bonds3

About (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide

(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide (PubChem CID 120616011) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
PubChem CID120616011
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccccc2)CCN1
InChIInChI=1S/C14H20N2O/c1-11-9-13(7-8-15-11)14(17)16-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyYMYXCCSZUXZJMT-AAEUAGOBSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
(2S,4S)-2-methyl-N-[[3-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630059
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
N-benzylpiperidine-4-carboxamide
CID 3868064
2-methyl-N-(2-methyl-2-phenylpropyl)piperidine-4-carboxamide
CID 106739532
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide (CID 120616011) is (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide?
The InChIKey is YMYXCCSZUXZJMT-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-9-13(7-8-15-11)14(17)16-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120616011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).