5-(1-acetylpiperidin-4-yl)pentanoic acid

C12H21NO3 — CID 18621003

IUPAC5-(1-acetylpiperidin-4-yl)pentanoic acid
SMILESCC(=O)N1CCC(CCCCC(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-10(14)13-8-6-11(7-9-13)4-2-3-5-12(15)16/h11H,2-9H2,1H3,(H,15,16)
InChIKeyKWOUAOYCTPKESC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds5

About 5-(1-acetylpiperidin-4-yl)pentanoic acid

5-(1-acetylpiperidin-4-yl)pentanoic acid (PubChem CID 18621003) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)pentanoic acid
PubChem CID18621003
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-(1-acetylpiperidin-4-yl)pentanoic acid
SMILESCC(=O)N1CCC(CCCCC(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-10(14)13-8-6-11(7-9-13)4-2-3-5-12(15)16/h11H,2-9H2,1H3,(H,15,16)
InChIKeyKWOUAOYCTPKESC-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(1-acetylpiperidin-4-yl)pentanoic 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 5-(1-acetylpiperidin-4-yl)pentanoic acid?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)pentanoic acid (CID 18621003) is 5-(1-acetylpiperidin-4-yl)pentanoic acid.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)pentanoic acid?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)pentanoic acid is CC(=O)N1CCC(CCCCC(=O)O)CC1.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)pentanoic acid?
The InChIKey is KWOUAOYCTPKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(14)13-8-6-11(7-9-13)4-2-3-5-12(15)16/h11H,2-9H2,1H3,(H,15,16).
What are the key properties of 5-(1-acetylpiperidin-4-yl)pentanoic acid?
5-(1-acetylpiperidin-4-yl)pentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)pentanoic acid is sourced from PubChem (CID 18621003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).