(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C20H27ClN4O2 — CID 120879589

IUPAC(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H26N4O2.ClH/c1-23-11-10-22-19(23)18-14-21-9-12-24(18)20(25)15-5-4-8-17(13-15)26-16-6-2-3-7-16;/h4-5,8,10-11,13,16,18,21H,2-3,6-7,9,12,14H2,1H3;1H
InChIKeyWJOBPIZOYSIFLO-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.95
Rot. Bonds4

About (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120879589) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120879589
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H26N4O2.ClH/c1-23-11-10-22-19(23)18-14-21-9-12-24(18)20(25)15-5-4-8-17(13-15)26-16-6-2-3-7-16;/h4-5,8,10-11,13,16,18,21H,2-3,6-7,9,12,14H2,1H3;1H
InChIKeyWJOBPIZOYSIFLO-UHFFFAOYSA-N
XLogP2.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879590
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120879403
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 120879428
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 120880628
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
N-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120877603
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[3-(1,3-thiazol-4-yl)phenyl]methanone
CID 120877682
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120879589) is (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WJOBPIZOYSIFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c1-23-11-10-22-19(23)18-14-21-9-12-24(18)20(25)15-5-4-8-17(13-15)26-16-6-2-3-7-16;/h4-5,8,10-11,13,16,18,21H,2-3,6-7,9,12,14H2,1H3;1H.
What are the key properties of (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120879589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).