4-(dipentylcarbamoyl)piperazine-2-carboxylic acid

C16H31N3O3 — CID 18965167

IUPAC4-(dipentylcarbamoyl)piperazine-2-carboxylic acid
SMILESCCCCCN(CCCCC)C(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C16H31N3O3/c1-3-5-7-10-18(11-8-6-4-2)16(22)19-12-9-17-14(13-19)15(20)21/h14,17H,3-13H2,1-2H3,(H,20,21)
InChIKeyFDJMKPVPNZQKBZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.15
Rot. Bonds9

About 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid

4-(dipentylcarbamoyl)piperazine-2-carboxylic acid (PubChem CID 18965167) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dipentylcarbamoyl)piperazine-2-carboxylic acid
PubChem CID18965167
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name4-(dipentylcarbamoyl)piperazine-2-carboxylic acid
SMILESCCCCCN(CCCCC)C(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C16H31N3O3/c1-3-5-7-10-18(11-8-6-4-2)16(22)19-12-9-17-14(13-19)15(20)21/h14,17H,3-13H2,1-2H3,(H,20,21)
InChIKeyFDJMKPVPNZQKBZ-UHFFFAOYSA-N
XLogP2.15
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(dipentylcarbamoyl)piperazine-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

Frequently Asked Questions

What is the IUPAC name of 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid (CID 18965167) is 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid is CCCCCN(CCCCC)C(=O)N1CCNC(C(=O)O)C1.
What is the InChIKey of 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid?
The InChIKey is FDJMKPVPNZQKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-3-5-7-10-18(11-8-6-4-2)16(22)19-12-9-17-14(13-19)15(20)21/h14,17H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid?
4-(dipentylcarbamoyl)piperazine-2-carboxylic acid has a molecular weight of 313.44 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipentylcarbamoyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 18965167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).