N-hexyl-3-oxopiperazine-1-carboxamide

C11H21N3O2 — CID 134847041

IUPACN-hexyl-3-oxopiperazine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-2-3-4-5-6-13-11(16)14-8-7-12-10(15)9-14/h2-9H2,1H3,(H,12,15)(H,13,16)
InChIKeyKHFDJMJIKOGEIC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.71
Rot. Bonds5

About N-hexyl-3-oxopiperazine-1-carboxamide

N-hexyl-3-oxopiperazine-1-carboxamide (PubChem CID 134847041) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-hexyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-3-oxopiperazine-1-carboxamide
PubChem CID134847041
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-hexyl-3-oxopiperazine-1-carboxamide
SMILESCCCCCCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-2-3-4-5-6-13-11(16)14-8-7-12-10(15)9-14/h2-9H2,1H3,(H,12,15)(H,13,16)
InChIKeyKHFDJMJIKOGEIC-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-hexyl-3-oxopiperazine-1-carboxamide (CID 134847041) is N-hexyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-hexyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-hexyl-3-oxopiperazine-1-carboxamide is CCCCCCNC(=O)N1CCNC(=O)C1.
What is the InChIKey of N-hexyl-3-oxopiperazine-1-carboxamide?
The InChIKey is KHFDJMJIKOGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-3-4-5-6-13-11(16)14-8-7-12-10(15)9-14/h2-9H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-hexyl-3-oxopiperazine-1-carboxamide?
N-hexyl-3-oxopiperazine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 134847041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).