1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid

C15H25NO3 — CID 66844752

IUPAC1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
SMILESCC(=O)N1CC(CC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-11(17)16-9-13(8-14(10-16)15(18)19)7-12-5-3-2-4-6-12/h12-14H,2-10H2,1H3,(H,18,19)
InChIKeyIAKHMBJVAGWGKK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds3

About 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid

1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid (PubChem CID 66844752) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
PubChem CID66844752
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
SMILESCC(=O)N1CC(CC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-11(17)16-9-13(8-14(10-16)15(18)19)7-12-5-3-2-4-6-12/h12-14H,2-10H2,1H3,(H,18,19)
InChIKeyIAKHMBJVAGWGKK-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic 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 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid (CID 66844752) is 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid is CC(=O)N1CC(CC2CCCCC2)CC(C(=O)O)C1.
What is the InChIKey of 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
The InChIKey is IAKHMBJVAGWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(17)16-9-13(8-14(10-16)15(18)19)7-12-5-3-2-4-6-12/h12-14H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid?
1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 66844752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).