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

C13H23ClN4O — CID 71779949

IUPAC1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CCN(c2nccn2C)CC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-4-5-12(18)16-8-10-17(11-9-16)13-14-6-7-15(13)2;/h6-7H,3-5,8-11H2,1-2H3;1H
InChIKeyXXONNSVFVPVVHT-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.68
Rot. Bonds4

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

1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 71779949) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID71779949
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CCN(c2nccn2C)CC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-4-5-12(18)16-8-10-17(11-9-16)13-14-6-7-15(13)2;/h6-7H,3-5,8-11H2,1-2H3;1H
InChIKeyXXONNSVFVPVVHT-UHFFFAOYSA-N
XLogP1.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 45284165
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
CID 25284972
2-(4-methoxyphenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284816
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 71991000
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
CID 71779972
2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 45284150
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
CID 25284968
(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779967
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 71779949) is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride is CCCCC(=O)N1CCN(c2nccn2C)CC1.Cl.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is XXONNSVFVPVVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-3-4-5-12(18)16-8-10-17(11-9-16)13-14-6-7-15(13)2;/h6-7H,3-5,8-11H2,1-2H3;1H.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride?
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 71779949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).