1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one

C21H24N2O — CID 170230578

IUPAC1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one
SMILESCc1ccc(C2CC2CN2CCN(c3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O/c1-16-7-9-17(10-8-16)20-13-18(20)14-23-12-11-22(15-21(23)24)19-5-3-2-4-6-19/h2-10,18,20H,11-15H2,1H3
InChIKeyVUYMOKGYXJVXTQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.45
Rot. Bonds4

About 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one

1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one (PubChem CID 170230578) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one.

Molecular Properties

Compound Name1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one
PubChem CID170230578
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one
SMILESCc1ccc(C2CC2CN2CCN(c3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O/c1-16-7-9-17(10-8-16)20-13-18(20)14-23-12-11-22(15-21(23)24)19-5-3-2-4-6-19/h2-10,18,20H,11-15H2,1H3
InChIKeyVUYMOKGYXJVXTQ-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione
CID 142479304
ethane;[2-(4-methylphenyl)cyclopropyl]-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 157444216
ethane;4-[[2-(4-methylphenyl)cyclopropyl]methyl]-1,4-oxazepane
CID 142479284
1-(2-methylphenyl)-4-phenylpiperazin-2-one
CID 91159394
1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
CID 20736310
1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613652
(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine
CID 141193185
4-(4-chlorophenyl)-1-ethylpiperazin-2-one
CID 117013599
methyl 2-[4-(3-methylphenyl)-2-oxopiperazin-1-yl]acetate
CID 118653244
N-methyl-1-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 94558306
N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 89010387
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10615990

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one?
The IUPAC name of 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one (CID 170230578) is 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one.
What is the SMILES notation for 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one?
The canonical SMILES for 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one is Cc1ccc(C2CC2CN2CCN(c3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one?
The InChIKey is VUYMOKGYXJVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-7-9-17(10-8-16)20-13-18(20)14-23-12-11-22(15-21(23)24)19-5-3-2-4-6-19/h2-10,18,20H,11-15H2,1H3.
What are the key properties of 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one?
1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one has a molecular weight of 320.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylphenyl)cyclopropyl]methyl]-4-phenylpiperazin-2-one is sourced from PubChem (CID 170230578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).