1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide

C15H22N2O3 — CID 23884997

IUPAC1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CN2CCCC(C(N)=O)C2)c1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-7-3-5-11(14(13)20-2)9-17-8-4-6-12(10-17)15(16)18/h3,5,7,12H,4,6,8-10H2,1-2H3,(H2,16,18)
InChIKeyGFIMNBNCNRKENT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide

1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 23884997) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID23884997
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CN2CCCC(C(N)=O)C2)c1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-7-3-5-11(14(13)20-2)9-17-8-4-6-12(10-17)15(16)18/h3,5,7,12H,4,6,8-10H2,1-2H3,(H2,16,18)
InChIKeyGFIMNBNCNRKENT-UHFFFAOYSA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
ethyl (3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 104794493
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 23884997) is 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1cccc(CN2CCCC(C(N)=O)C2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GFIMNBNCNRKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-7-3-5-11(14(13)20-2)9-17-8-4-6-12(10-17)15(16)18/h3,5,7,12H,4,6,8-10H2,1-2H3,(H2,16,18).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 23884997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).