N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C14H25N3O3 — CID 3836519

IUPACN-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h12H,2-11H2,1H3,(H,15,19)
InChIKeySXEVJQBALKSKEQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.82
Rot. Bonds4

About N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 3836519) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID3836519
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h12H,2-11H2,1H3,(H,15,19)
InChIKeySXEVJQBALKSKEQ-UHFFFAOYSA-N
XLogP0.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide 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 N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 3836519) is N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is SXEVJQBALKSKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h12H,2-11H2,1H3,(H,15,19).
What are the key properties of N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 3836519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).