[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone

C24H30N2O — CID 161065319

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone
SMILESCc1ccc(CC2CC2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O/c1-17-5-8-20(9-6-17)15-21-16-22(21)24(27)26-12-10-25(11-13-26)23-14-18(2)4-7-19(23)3/h4-9,14,21-22H,10-13,15-16H2,1-3H3
InChIKeyUDYGUMRKBBOWFI-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.14
Rot. Bonds4

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone (PubChem CID 161065319) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone
PubChem CID161065319
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone
SMILESCc1ccc(CC2CC2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O/c1-17-5-8-20(9-6-17)15-21-16-22(21)24(27)26-12-10-25(11-13-26)23-14-18(2)4-7-19(23)3/h4-9,14,21-22H,10-13,15-16H2,1-3H3
InChIKeyUDYGUMRKBBOWFI-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone with MolForge

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Related Compounds

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone
CID 170230570
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 159187569
(3S,4S)-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-phenylpiperidine-1-carboxylic acid
CID 123443778
(1-cyclopropylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 138993514
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4R)-4-(2-methylphenyl)piperidin-3-yl]methanone
CID 68730574
[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 130454988
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 174619845

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone (CID 161065319) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone is Cc1ccc(CC2CC2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone?
The InChIKey is UDYGUMRKBBOWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17-5-8-20(9-6-17)15-21-16-22(21)24(27)26-12-10-25(11-13-26)23-14-18(2)4-7-19(23)3/h4-9,14,21-22H,10-13,15-16H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone has a molecular weight of 362.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[2-[(4-methylphenyl)methyl]cyclopropyl]methanone is sourced from PubChem (CID 161065319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).