2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid

C23H22N2O3 — CID 22399464

IUPAC2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N2O3/c26-22(27)16-19-7-3-4-8-21(19)24-11-13-25(14-12-24)23(28)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2,(H,26,27)
InChIKeyDMMSTJRFBWOEOK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.43
Rot. Bonds4

About 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid

2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid (PubChem CID 22399464) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
PubChem CID22399464
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H22N2O3/c26-22(27)16-19-7-3-4-8-21(19)24-11-13-25(14-12-24)23(28)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2,(H,26,27)
InChIKeyDMMSTJRFBWOEOK-UHFFFAOYSA-N
XLogP3.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]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

Related Compounds

4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
CID 22399182
2-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399310
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
CID 22399209
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
[4-(2,4-diaminoquinazolin-5-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 25005572
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 24680542
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid (CID 22399464) is 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid is O=C(O)Cc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid?
The InChIKey is DMMSTJRFBWOEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(27)16-19-7-3-4-8-21(19)24-11-13-25(14-12-24)23(28)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2,(H,26,27).
What are the key properties of 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid?
2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid has a molecular weight of 374.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 22399464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).