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

C25H26N2O3 — CID 22399182

IUPAC4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H26N2O3/c28-24(29)11-5-9-20-7-3-4-10-23(20)26-14-16-27(17-15-26)25(30)22-13-12-19-6-1-2-8-21(19)18-22/h1-4,6-8,10,12-13,18H,5,9,11,14-17H2,(H,28,29)
InChIKeyFTJMNTSHWYRZPA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.21
Rot. Bonds6

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

4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid (PubChem CID 22399182) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
PubChem CID22399182
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H26N2O3/c28-24(29)11-5-9-20-7-3-4-10-23(20)26-14-16-27(17-15-26)25(30)22-13-12-19-6-1-2-8-21(19)18-22/h1-4,6-8,10,12-13,18H,5,9,11,14-17H2,(H,28,29)
InChIKeyFTJMNTSHWYRZPA-UHFFFAOYSA-N
XLogP4.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399464
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
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
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
CID 22399209
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
[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
5-[6-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-2-phenylquinolin-3-yl]pentanoic acid
CID 57410664
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid?
The IUPAC name of 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid (CID 22399182) is 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid.
What is the SMILES notation for 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid?
The canonical SMILES for 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid is O=C(O)CCCc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid?
The InChIKey is FTJMNTSHWYRZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-24(29)11-5-9-20-7-3-4-10-23(20)26-14-16-27(17-15-26)25(30)22-13-12-19-6-1-2-8-21(19)18-22/h1-4,6-8,10,12-13,18H,5,9,11,14-17H2,(H,28,29).
What are the key properties of 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid?
4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid has a molecular weight of 402.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]butanoic acid is sourced from PubChem (CID 22399182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).