1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide

C15H22N2O2 — CID 6456310

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-8-12(5-6-14(11)19-2)9-17-7-3-4-13(10-17)15(16)18/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyKMVYGYZLCYJKNI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds4

About 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide

1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 6456310) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID6456310
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CN2CCCC(C(N)=O)C2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-8-12(5-6-14(11)19-2)9-17-7-3-4-13(10-17)15(16)18/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyKMVYGYZLCYJKNI-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
(3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 783278
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
2-hydroxy-N-[[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95209152

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide (CID 6456310) is 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide is COc1ccc(CN2CCCC(C(N)=O)C2)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KMVYGYZLCYJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-12(5-6-14(11)19-2)9-17-7-3-4-13(10-17)15(16)18/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,16,18).
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 6456310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).