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

C22H26N2O3 — CID 110802129

IUPAC[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(2)27-19-10-8-18(9-11-19)21(25)23-12-14-24(15-13-23)22(26)20-7-5-4-6-17(20)3/h4-11,16H,12-15H2,1-3H3
InChIKeyQYJPUGKSLLKREK-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.38
Rot. Bonds4

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

[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 110802129) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID110802129
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(2)27-19-10-8-18(9-11-19)21(25)23-12-14-24(15-13-23)22(26)20-7-5-4-6-17(20)3/h4-11,16H,12-15H2,1-3H3
InChIKeyQYJPUGKSLLKREK-UHFFFAOYSA-N
XLogP3.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
ethyl [4-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533352
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
3-methyl-1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806888
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 110802129) is [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone is Cc1ccccc1C(=O)N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is QYJPUGKSLLKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(2)27-19-10-8-18(9-11-19)21(25)23-12-14-24(15-13-23)22(26)20-7-5-4-6-17(20)3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 366.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 110802129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).