(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one

C22H26N2O2 — CID 93321508

IUPAC(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C(C)C)cc3)C(=O)[C@H]2C)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)18-9-11-20(12-10-18)24-14-13-23(17(4)21(24)25)22(26)19-7-5-16(3)6-8-19/h5-12,15,17H,13-14H2,1-4H3/t17-/m1/s1
InChIKeyHQTBURGZHGFFCQ-QGZVFWFLSA-N
MW350.46 g/mol
LogP4.00
Rot. Bonds3

About (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one

(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 93321508) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID93321508
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C(C)C)cc3)C(=O)[C@H]2C)cc1
InChIInChI=1S/C22H26N2O2/c1-15(2)18-9-11-20(12-10-18)24-14-13-23(17(4)21(24)25)22(26)19-7-5-16(3)6-8-19/h5-12,15,17H,13-14H2,1-4H3/t17-/m1/s1
InChIKeyHQTBURGZHGFFCQ-QGZVFWFLSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one (CID 93321508) is (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one is Cc1ccc(C(=O)N2CCN(c3ccc(C(C)C)cc3)C(=O)[C@H]2C)cc1.
What is the InChIKey of (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is HQTBURGZHGFFCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)18-9-11-20(12-10-18)24-14-13-23(17(4)21(24)25)22(26)19-7-5-16(3)6-8-19/h5-12,15,17H,13-14H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 93321508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).