1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid

C14H23N3O4 — CID 107439854

IUPAC1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(CC(=O)NC2CCCCCC2)C(C(=O)O)CN1
InChIInChI=1S/C14H23N3O4/c18-12-8-17(11(7-15-12)14(20)21)9-13(19)16-10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H,15,18)(H,16,19)(H,20,21)
InChIKeyLACTUNLBQXMUHV-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.29
Rot. Bonds4

About 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid

1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439854) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107439854
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(CC(=O)NC2CCCCCC2)C(C(=O)O)CN1
InChIInChI=1S/C14H23N3O4/c18-12-8-17(11(7-15-12)14(20)21)9-13(19)16-10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H,15,18)(H,16,19)(H,20,21)
InChIKeyLACTUNLBQXMUHV-UHFFFAOYSA-N
XLogP-0.29
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-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-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439547
1-(cyclohexylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107435082
5-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-2-carboxylic acid
CID 107439870
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439604
(2S,3aS,7aR)-1-[2-(cycloheptylamino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125118272
1-octyl-5-oxopiperazine-2-carboxylic acid
CID 107439699
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254
5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid
CID 107439682
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid
CID 107439729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid (CID 107439854) is 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid is O=C1CN(CC(=O)NC2CCCCCC2)C(C(=O)O)CN1.
What is the InChIKey of 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is LACTUNLBQXMUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c18-12-8-17(11(7-15-12)14(20)21)9-13(19)16-10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H,15,18)(H,16,19)(H,20,21).
What are the key properties of 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).