1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione

C18H24N2O2 — CID 121449078

IUPAC1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC(=O)C2CC2)CC1
InChIInChI=1S/C18H24N2O2/c1-14-4-2-3-5-16(14)19-10-12-20(13-11-19)18(22)9-8-17(21)15-6-7-15/h2-5,15H,6-13H2,1H3
InChIKeyVZSCSEDXPJMREP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.40
Rot. Bonds5

About 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione

1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione (PubChem CID 121449078) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
PubChem CID121449078
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC(=O)C2CC2)CC1
InChIInChI=1S/C18H24N2O2/c1-14-4-2-3-5-16(14)19-10-12-20(13-11-19)18(22)9-8-17(21)15-6-7-15/h2-5,15H,6-13H2,1H3
InChIKeyVZSCSEDXPJMREP-UHFFFAOYSA-N
XLogP2.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 115593324
2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide
CID 113097513
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
2-tert-butylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766349
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione (CID 121449078) is 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione is Cc1ccccc1N1CCN(C(=O)CCC(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione?
The InChIKey is VZSCSEDXPJMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-4-2-3-5-16(14)19-10-12-20(13-11-19)18(22)9-8-17(21)15-6-7-15/h2-5,15H,6-13H2,1H3.
What are the key properties of 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione?
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione has a molecular weight of 300.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 121449078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).