[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone

C17H22N4O — CID 90533226

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C17H22N4O/c1-15-2-4-16(5-3-15)17(22)21-12-10-19(11-13-21)8-9-20-7-6-18-14-20/h2-7,14H,8-13H2,1H3
InChIKeyLKWYMBZCTHHMAK-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.65
Rot. Bonds4

About [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 90533226) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID90533226
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(CCn3ccnc3)CC2)cc1
InChIInChI=1S/C17H22N4O/c1-15-2-4-16(5-3-15)17(22)21-12-10-19(11-13-21)8-9-20-7-6-18-14-20/h2-7,14H,8-13H2,1H3
InChIKeyLKWYMBZCTHHMAK-UHFFFAOYSA-N
XLogP1.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788576
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
[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
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90533257
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-(imidazol-1-ylmethyl)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560553

Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 90533226) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(CCn3ccnc3)CC2)cc1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is LKWYMBZCTHHMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-15-2-4-16(5-3-15)17(22)21-12-10-19(11-13-21)8-9-20-7-6-18-14-20/h2-7,14H,8-13H2,1H3.
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 298.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 90533226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).