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

C15H20N2O3 — CID 106745166

IUPAC1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-8-13(15(19)20)6-7-17(10)9-11-2-4-12(5-3-11)14(16)18/h2-5,10,13H,6-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyMYSPZSHGGWTJJZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.47
Rot. Bonds4

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

1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745166) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745166
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-8-13(15(19)20)6-7-17(10)9-11-2-4-12(5-3-11)14(16)18/h2-5,10,13H,6-9H2,1H3,(H2,16,18)(H,19,20)
InChIKeyMYSPZSHGGWTJJZ-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-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745496
1-[(4-cyanophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744930
4-[(4-amino-2-methylpiperidin-1-yl)methyl]benzoic acid
CID 115312935
1-[(3,4-difluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744824
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745447
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
4-[[[N-(1-benzyl-2-methylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 109458016
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365
1-[(3-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745667

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid (CID 106745166) is 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is MYSPZSHGGWTJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-13(15(19)20)6-7-17(10)9-11-2-4-12(5-3-11)14(16)18/h2-5,10,13H,6-9H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-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-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).