N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

C16H24N2O3 — CID 106739773

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCNC(C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-11-8-12(6-7-17-11)16(19)18-10-13-9-14(20-2)4-5-15(13)21-3/h4-5,9,11-12,17H,6-8,10H2,1-3H3,(H,18,19)
InChIKeyWCPUQVJWNKHFBG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106739773) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID106739773
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCNC(C)C2)c1
InChIInChI=1S/C16H24N2O3/c1-11-8-12(6-7-17-11)16(19)18-10-13-9-14(20-2)4-5-15(13)21-3/h4-5,9,11-12,17H,6-8,10H2,1-3H3,(H,18,19)
InChIKeyWCPUQVJWNKHFBG-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
(2S,4S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120630600
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
cis-(1S,2R)-2-N-tert-butyl-1-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1,2-dicarboxamide
CID 46982400

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 106739773) is N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCNC(C)C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is WCPUQVJWNKHFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-8-12(6-7-17-11)16(19)18-10-13-9-14(20-2)4-5-15(13)21-3/h4-5,9,11-12,17H,6-8,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106739773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).