4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid

C15H19NO4 — CID 118628389

IUPAC4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(C2CCN(C(=O)O)CC2)cc1C
InChIInChI=1S/C15H19NO4/c1-10-9-12(3-4-13(10)14(17)20-2)11-5-7-16(8-6-11)15(18)19/h3-4,9,11H,5-8H2,1-2H3,(H,18,19)
InChIKeyKFBFDWHWPAQZBE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid

4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid (PubChem CID 118628389) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
PubChem CID118628389
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(C2CCN(C(=O)O)CC2)cc1C
InChIInChI=1S/C15H19NO4/c1-10-9-12(3-4-13(10)14(17)20-2)11-5-7-16(8-6-11)15(18)19/h3-4,9,11H,5-8H2,1-2H3,(H,18,19)
InChIKeyKFBFDWHWPAQZBE-UHFFFAOYSA-N
XLogP2.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-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

methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
methyl 4-(4,4-dimethylcyclohexyl)-2-methylbenzoate
CID 154726562
methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate
CID 67159282
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
CID 66622737
methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylbenzoate
CID 67159662
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
methyl 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoate
CID 176580481
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoate
CID 157214542
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid (CID 118628389) is 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid is COC(=O)c1ccc(C2CCN(C(=O)O)CC2)cc1C.
What is the InChIKey of 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid?
The InChIKey is KFBFDWHWPAQZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-9-12(3-4-13(10)14(17)20-2)11-5-7-16(8-6-11)15(18)19/h3-4,9,11H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid?
4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 118628389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).