[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone

C19H22N2O — CID 71690161

IUPAC[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(-c2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H22N2O/c1-15-5-3-6-16(13-15)17-7-4-8-18(14-17)19(22)21-11-9-20(2)10-12-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyGRBTWASUWHMVLT-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.05
Rot. Bonds2

About [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone

[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 71690161) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID71690161
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(-c2cccc(C(=O)N3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H22N2O/c1-15-5-3-6-16(13-15)17-7-4-8-18(14-17)19(22)21-11-9-20(2)10-12-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyGRBTWASUWHMVLT-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
CID 174584749
CID 174584749
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 71690161) is [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone is Cc1cccc(-c2cccc(C(=O)N3CCN(C)CC3)c2)c1.
What is the InChIKey of [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GRBTWASUWHMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-5-3-6-16(13-15)17-7-4-8-18(14-17)19(22)21-11-9-20(2)10-12-21/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71690161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).