1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one

C14H18N2O — CID 155722107

IUPAC1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCNCC2=O)cc1C1CC1
InChIInChI=1S/C14H18N2O/c1-10-2-5-12(8-13(10)11-3-4-11)16-7-6-15-9-14(16)17/h2,5,8,11,15H,3-4,6-7,9H2,1H3
InChIKeyJHHDBEHOTNGUHQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one

1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one (PubChem CID 155722107) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
PubChem CID155722107
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCNCC2=O)cc1C1CC1
InChIInChI=1S/C14H18N2O/c1-10-2-5-12(8-13(10)11-3-4-11)16-7-6-15-9-14(16)17/h2,5,8,11,15H,3-4,6-7,9H2,1H3
InChIKeyJHHDBEHOTNGUHQ-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
The IUPAC name of 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one (CID 155722107) is 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
The canonical SMILES for 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCNCC2=O)cc1C1CC1.
What is the InChIKey of 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
The InChIKey is JHHDBEHOTNGUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-2-5-12(8-13(10)11-3-4-11)16-7-6-15-9-14(16)17/h2,5,8,11,15H,3-4,6-7,9H2,1H3.
What are the key properties of 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one?
1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 155722107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).