(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone

C21H26N2O2 — CID 113077620

IUPAC(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-16(2)25-20-10-5-4-9-19(20)22-11-13-23(14-12-22)21(24)18-8-6-7-17(3)15-18/h4-10,15-16H,11-14H2,1-3H3
InChIKeyQAPJZIIHKPJPHC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.74
Rot. Bonds4

About (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone

(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone (PubChem CID 113077620) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
PubChem CID113077620
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C21H26N2O2/c1-16(2)25-20-10-5-4-9-19(20)22-11-13-23(14-12-22)21(24)18-8-6-7-17(3)15-18/h4-10,15-16H,11-14H2,1-3H3
InChIKeyQAPJZIIHKPJPHC-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077645
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 108546579
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone (CID 113077620) is (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(c3ccccc3OC(C)C)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QAPJZIIHKPJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)25-20-10-5-4-9-19(20)22-11-13-23(14-12-22)21(24)18-8-6-7-17(3)15-18/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone?
(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113077620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).