2-(4-heptanoylpiperazin-1-yl)acetic acid

C13H24N2O3 — CID 43521357

IUPAC2-(4-heptanoylpiperazin-1-yl)acetic acid
SMILESCCCCCCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-5-6-12(16)15-9-7-14(8-10-15)11-13(17)18/h2-11H2,1H3,(H,17,18)
InChIKeyMCLJQXWTFHQDMA-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.19
Rot. Bonds7

About 2-(4-heptanoylpiperazin-1-yl)acetic acid

2-(4-heptanoylpiperazin-1-yl)acetic acid (PubChem CID 43521357) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-heptanoylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-heptanoylpiperazin-1-yl)acetic acid
PubChem CID43521357
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(4-heptanoylpiperazin-1-yl)acetic acid
SMILESCCCCCCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-2-3-4-5-6-12(16)15-9-7-14(8-10-15)11-13(17)18/h2-11H2,1H3,(H,17,18)
InChIKeyMCLJQXWTFHQDMA-UHFFFAOYSA-N
XLogP1.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-heptanoylpiperazin-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

Related Compounds

1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
2-[4-(7-aminoheptanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823391
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptanoylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-heptanoylpiperazin-1-yl)acetic acid (CID 43521357) is 2-(4-heptanoylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-heptanoylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-heptanoylpiperazin-1-yl)acetic acid is CCCCCCC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-heptanoylpiperazin-1-yl)acetic acid?
The InChIKey is MCLJQXWTFHQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-4-5-6-12(16)15-9-7-14(8-10-15)11-13(17)18/h2-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-heptanoylpiperazin-1-yl)acetic acid?
2-(4-heptanoylpiperazin-1-yl)acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptanoylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 43521357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).