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

C16H22N2O3 — CID 106745496

IUPAC1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(CN2CCC(C(=O)O)CC2C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-9-14(16(20)21)7-8-18(11)10-13-3-5-15(6-4-13)17-12(2)19/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXFKSKFIGOCOLKB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds4

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

1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745496) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745496
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(CN2CCC(C(=O)O)CC2C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-9-14(16(20)21)7-8-18(11)10-13-3-5-15(6-4-13)17-12(2)19/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXFKSKFIGOCOLKB-UHFFFAOYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745166
1-[(4-cyanophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744930
1-[(3,4-difluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744824
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
4-[(4-amino-2-methylpiperidin-1-yl)methyl]benzoic acid
CID 115312935
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[4-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]acetamide
CID 95856939
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745447
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid (CID 106745496) is 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid is CC(=O)Nc1ccc(CN2CCC(C(=O)O)CC2C)cc1.
What is the InChIKey of 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is XFKSKFIGOCOLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-14(16(20)21)7-8-18(11)10-13-3-5-15(6-4-13)17-12(2)19/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).