1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid

C14H22N2O4 — CID 62230805

IUPAC1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-6-5-11(14(19)20)9-16(12)10-13(18)15-7-3-1-2-4-8-15/h11H,1-10H2,(H,19,20)
InChIKeyFVXAYPYVULYBMQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.71
Rot. Bonds3

About 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid

1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62230805) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62230805
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-6-5-11(14(19)20)9-16(12)10-13(18)15-7-3-1-2-4-8-15/h11H,1-10H2,(H,19,20)
InChIKeyFVXAYPYVULYBMQ-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-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

Related Compounds

1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 43170988
1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid
CID 79173164
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxylic acid
CID 55049782
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
5-amino-4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 79355244
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168504855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid (CID 62230805) is 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CC(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is FVXAYPYVULYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-6-5-11(14(19)20)9-16(12)10-13(18)15-7-3-1-2-4-8-15/h11H,1-10H2,(H,19,20).
What are the key properties of 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62230805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).