1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one

C15H26N4O — CID 90533659

IUPAC1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C15H26N4O/c1-3-4-5-15(20)19-12-9-17(10-13-19)8-11-18-7-6-16-14(18)2/h6-7H,3-5,8-13H2,1-2H3
InChIKeyIQOJKDSWVYVERW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.53
Rot. Bonds6

About 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one (PubChem CID 90533659) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
PubChem CID90533659
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C15H26N4O/c1-3-4-5-15(20)19-12-9-17(10-13-19)8-11-18-7-6-16-14(18)2/h6-7H,3-5,8-13H2,1-2H3
InChIKeyIQOJKDSWVYVERW-UHFFFAOYSA-N
XLogP1.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
3-(benzenesulfonyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90533828
(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533672
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561527
4-chloro-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 90560596
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71779949
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one (CID 90533659) is 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(CCn2ccnc2C)CC1.
What is the InChIKey of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one?
The InChIKey is IQOJKDSWVYVERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-4-5-15(20)19-12-9-17(10-13-19)8-11-18-7-6-16-14(18)2/h6-7H,3-5,8-13H2,1-2H3.
What are the key properties of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one?
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 90533659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).