(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C16H20N4O — CID 110854226

IUPAC(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cncn3C)CC2)c1
InChIInChI=1S/C16H20N4O/c1-13-4-3-5-14(10-13)19-6-8-20(9-7-19)16(21)15-11-17-12-18(15)2/h3-5,10-12H,6-9H2,1-2H3
InChIKeyIGEURLXCRMGHBM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.69
Rot. Bonds2

About (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 110854226) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID110854226
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cncn3C)CC2)c1
InChIInChI=1S/C16H20N4O/c1-13-4-3-5-14(10-13)19-6-8-20(9-7-19)16(21)15-11-17-12-18(15)2/h3-5,10-12H,6-9H2,1-2H3
InChIKeyIGEURLXCRMGHBM-UHFFFAOYSA-N
XLogP1.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 110854409
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510289
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768
5-chloro-3,3-dimethyl-2-[3-[4-(3-methylimidazole-4-carbonyl)piperazin-1-yl]phenyl]isoindol-1-one
CID 155297861
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 110854226) is (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cncn3C)CC2)c1.
What is the InChIKey of (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is IGEURLXCRMGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-4-3-5-14(10-13)19-6-8-20(9-7-19)16(21)15-11-17-12-18(15)2/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110854226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).