N,N-dibenzyl-3-methylpiperidine-2-carboxamide

C21H26N2O — CID 130158118

IUPACN,N-dibenzyl-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-17-9-8-14-22-20(17)21(24)23(15-18-10-4-2-5-11-18)16-19-12-6-3-7-13-19/h2-7,10-13,17,20,22H,8-9,14-16H2,1H3
InChIKeyIYHRQMQZASTOFM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.60
Rot. Bonds5

About N,N-dibenzyl-3-methylpiperidine-2-carboxamide

N,N-dibenzyl-3-methylpiperidine-2-carboxamide (PubChem CID 130158118) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N,N-dibenzyl-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-methylpiperidine-2-carboxamide
PubChem CID130158118
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN,N-dibenzyl-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-17-9-8-14-22-20(17)21(24)23(15-18-10-4-2-5-11-18)16-19-12-6-3-7-13-19/h2-7,10-13,17,20,22H,8-9,14-16H2,1H3
InChIKeyIYHRQMQZASTOFM-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenylpropyl 3-methylpiperidine-2-carboxylate
CID 107071149
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N,N-bis(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 62339294
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067691
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-methylpiperidine-2-carboxamide?
The IUPAC name of N,N-dibenzyl-3-methylpiperidine-2-carboxamide (CID 130158118) is N,N-dibenzyl-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-methylpiperidine-2-carboxamide?
The InChIKey is IYHRQMQZASTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-9-8-14-22-20(17)21(24)23(15-18-10-4-2-5-11-18)16-19-12-6-3-7-13-19/h2-7,10-13,17,20,22H,8-9,14-16H2,1H3.
What are the key properties of N,N-dibenzyl-3-methylpiperidine-2-carboxamide?
N,N-dibenzyl-3-methylpiperidine-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 130158118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).