[4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C13H18N4O3 — CID 112723485

IUPAC[4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C13H18N4O3/c18-12(11-2-1-9-20-11)15-5-7-16(8-6-15)13(19)17-4-3-14-10-17/h3-4,10-11H,1-2,5-9H2
InChIKeyKBZZVEDNJHKZLV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.17
Rot. Bonds1

About [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 112723485) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID112723485
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name[4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C13H18N4O3/c18-12(11-2-1-9-20-11)15-5-7-16(8-6-15)13(19)17-4-3-14-10-17/h3-4,10-11H,1-2,5-9H2
InChIKeyKBZZVEDNJHKZLV-UHFFFAOYSA-N
XLogP0.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone 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

(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
N-ethyl-N'-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301015

Frequently Asked Questions

What is the IUPAC name of [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 112723485) is [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(C(=O)n2ccnc2)CC1.
What is the InChIKey of [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is KBZZVEDNJHKZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(11-2-1-9-20-11)15-5-7-16(8-6-15)13(19)17-4-3-14-10-17/h3-4,10-11H,1-2,5-9H2.
What are the key properties of [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 278.31 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 112723485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).