3-(4-benzoylpiperazin-1-yl)propanoic acid

C14H18N2O3 — CID 2050697

IUPAC3-(4-benzoylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c17-13(18)6-7-15-8-10-16(11-9-15)14(19)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChIKeyNOBLIIOGLLLQNP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.92
Rot. Bonds4

About 3-(4-benzoylpiperazin-1-yl)propanoic acid

3-(4-benzoylpiperazin-1-yl)propanoic acid (PubChem CID 2050697) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(4-benzoylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-benzoylpiperazin-1-yl)propanoic acid
PubChem CID2050697
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(4-benzoylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c17-13(18)6-7-15-8-10-16(11-9-15)14(19)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChIKeyNOBLIIOGLLLQNP-UHFFFAOYSA-N
XLogP0.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193
3-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322926
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
3-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]propanoic acid
CID 107702412
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63394874
3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522138
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809
3-[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 61160837

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-benzoylpiperazin-1-yl)propanoic acid (CID 2050697) is 3-(4-benzoylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-benzoylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-benzoylpiperazin-1-yl)propanoic acid is O=C(O)CCN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(4-benzoylpiperazin-1-yl)propanoic acid?
The InChIKey is NOBLIIOGLLLQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)6-7-15-8-10-16(11-9-15)14(19)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18).
What are the key properties of 3-(4-benzoylpiperazin-1-yl)propanoic acid?
3-(4-benzoylpiperazin-1-yl)propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 2050697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).