[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C22H26N2O2 — CID 110365418

IUPAC[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-16(2)18-7-9-19(10-8-18)21(25)23-11-13-24(14-12-23)22(26)20-6-4-5-17(3)15-20/h4-10,15-16H,11-14H2,1-3H3
InChIKeyPQUAUYNXEOIHOM-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.72
Rot. Bonds3

About [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 110365418) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID110365418
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-16(2)18-7-9-19(10-8-18)21(25)23-11-13-24(14-12-23)22(26)20-6-4-5-17(3)15-20/h4-10,15-16H,11-14H2,1-3H3
InChIKeyPQUAUYNXEOIHOM-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 63337612
(2S)-2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 119282271
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110311064
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 110365418) is [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1.
What is the InChIKey of [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is PQUAUYNXEOIHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)18-7-9-19(10-8-18)21(25)23-11-13-24(14-12-23)22(26)20-6-4-5-17(3)15-20/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 350.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 110365418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).