1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid

C15H20N2O3 — CID 114426422

IUPAC1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2cccc(C(N)=O)c2)C(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-17(13(7-10)15(19)20)9-11-3-2-4-12(8-11)14(16)18/h2-4,8,10,13H,5-7,9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyARWOCTFLRQSXPL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid

1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426422) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114426422
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2cccc(C(N)=O)c2)C(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-17(13(7-10)15(19)20)9-11-3-2-4-12(8-11)14(16)18/h2-4,8,10,13H,5-7,9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyARWOCTFLRQSXPL-UHFFFAOYSA-N
XLogP1.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307
3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76939940
4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
1-benzyl-4-methylpiperidine-2-carboxylic acid;4-methylbenzenesulfonic acid
CID 86735354
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114593971
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114431427
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553

Frequently Asked Questions

What is the IUPAC name of 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid (CID 114426422) is 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(Cc2cccc(C(N)=O)c2)C(C(=O)O)C1.
What is the InChIKey of 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is ARWOCTFLRQSXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-17(13(7-10)15(19)20)9-11-3-2-4-12(8-11)14(16)18/h2-4,8,10,13H,5-7,9H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid?
1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).