(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone

C24H24N2O2 — CID 113079200

IUPAC(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C24H24N2O2/c1-19-6-5-7-20(18-19)24(27)26-16-14-25(15-17-26)21-10-12-23(13-11-21)28-22-8-3-2-4-9-22/h2-13,18H,14-17H2,1H3
InChIKeyDLCSYDYOFSIPHJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.75
Rot. Bonds4

About (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone

(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone (PubChem CID 113079200) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
PubChem CID113079200
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C24H24N2O2/c1-19-6-5-7-20(18-19)24(27)26-16-14-25(15-17-26)21-10-12-23(13-11-21)28-22-8-3-2-4-9-22/h2-13,18H,14-17H2,1H3
InChIKeyDLCSYDYOFSIPHJ-UHFFFAOYSA-N
XLogP4.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113078827
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565
methyl 3-[4-(3-methylbenzoyl)piperazin-1-yl]benzoate
CID 113078450
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone (CID 113079200) is (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is DLCSYDYOFSIPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-19-6-5-7-20(18-19)24(27)26-16-14-25(15-17-26)21-10-12-23(13-11-21)28-22-8-3-2-4-9-22/h2-13,18H,14-17H2,1H3.
What are the key properties of (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113079200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).