1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

C15H26N4O — CID 71788571

IUPAC1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12-14(20)19-10-8-17(9-11-19)6-7-18-5-4-16-13-18/h4-5,13H,6-12H2,1-3H3
InChIKeyFVCZJIYRRVVSCF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds4

About 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 71788571) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID71788571
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H26N4O/c1-15(2,3)12-14(20)19-10-8-17(9-11-19)6-7-18-5-4-16-13-18/h4-5,13H,6-12H2,1-3H3
InChIKeyFVCZJIYRRVVSCF-UHFFFAOYSA-N
XLogP1.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
ethyl 2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]acetate
CID 90533491
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 90533226
(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533216
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 90533539
1-[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 137341935
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 90533329
(2,5-dimethylfuran-3-yl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788591
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 71788571) is 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is FVCZJIYRRVVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)12-14(20)19-10-8-17(9-11-19)6-7-18-5-4-16-13-18/h4-5,13H,6-12H2,1-3H3.
What are the key properties of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 71788571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).