3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

C18H24N4O — CID 86284577

IUPAC3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCc1nccn1CCC(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C18H24N4O/c1-15-19-9-11-21(15)10-8-18(23)22-13-12-20(2)17(14-22)16-6-4-3-5-7-16/h3-7,9,11,17H,8,10,12-14H2,1-2H3
InChIKeyMLZXQMASVDZTJK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.10
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (PubChem CID 86284577) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
PubChem CID86284577
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCc1nccn1CCC(=O)N1CCN(C)C(c2ccccc2)C1
InChIInChI=1S/C18H24N4O/c1-15-19-9-11-21(15)10-8-18(23)22-13-12-20(2)17(14-22)16-6-4-3-5-7-16/h3-7,9,11,17H,8,10,12-14H2,1-2H3
InChIKeyMLZXQMASVDZTJK-UHFFFAOYSA-N
XLogP2.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
(3S,4R)-1-[4-(2-methylimidazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70786394
1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one
CID 45184157
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124990187
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 124977893
3-(2-methylimidazol-1-yl)-1-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 45208694
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
2-[4-(2-methylimidazol-1-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50970432

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (CID 86284577) is 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one is Cc1nccn1CCC(=O)N1CCN(C)C(c2ccccc2)C1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is MLZXQMASVDZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-19-9-11-21(15)10-8-18(23)22-13-12-20(2)17(14-22)16-6-4-3-5-7-16/h3-7,9,11,17H,8,10,12-14H2,1-2H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 86284577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).