N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide

C16H24N2O2 — CID 62339975

IUPACN-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C2NCCCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-17-15(12)16(19)18(2)11-13-7-4-8-14(10-13)20-3/h4,7-8,10,12,15,17H,5-6,9,11H2,1-3H3
InChIKeyKLXLMULFQFOKEI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide (PubChem CID 62339975) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
PubChem CID62339975
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C2NCCCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-17-15(12)16(19)18(2)11-13-7-4-8-14(10-13)20-3/h4,7-8,10,12,15,17H,5-6,9,11H2,1-3H3
InChIKeyKLXLMULFQFOKEI-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
CID 107069067
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119345493
(2R,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919622
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide (CID 62339975) is N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide is COc1cccc(CN(C)C(=O)C2NCCCC2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
The InChIKey is KLXLMULFQFOKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-5-9-17-15(12)16(19)18(2)11-13-7-4-8-14(10-13)20-3/h4,7-8,10,12,15,17H,5-6,9,11H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 62339975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).