2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid

C14H19N3O3 — CID 62306876

IUPAC2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid
SMILESCc1ccc(C(N)=O)c(N2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-11(14(15)20)12(8-10)17-6-4-16(5-7-17)9-13(18)19/h2-3,8H,4-7,9H2,1H3,(H2,15,20)(H,18,19)
InChIKeyLQWMFVSPHONLOF-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.30
Rot. Bonds4

About 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid

2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid (PubChem CID 62306876) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid
PubChem CID62306876
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid
SMILESCc1ccc(C(N)=O)c(N2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-11(14(15)20)12(8-10)17-6-4-16(5-7-17)9-13(18)19/h2-3,8H,4-7,9H2,1H3,(H2,15,20)(H,18,19)
InChIKeyLQWMFVSPHONLOF-UHFFFAOYSA-N
XLogP0.30
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid (CID 62306876) is 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid is Cc1ccc(C(N)=O)c(N2CCN(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid?
The InChIKey is LQWMFVSPHONLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-2-3-11(14(15)20)12(8-10)17-6-4-16(5-7-17)9-13(18)19/h2-3,8H,4-7,9H2,1H3,(H2,15,20)(H,18,19).
What are the key properties of 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid?
2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 62306876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).