1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one

C24H30N2O2 — CID 108536427

IUPAC1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)21-12-10-20(11-13-21)23(28)26-17-15-25(16-18-26)22(27)14-9-19-7-5-4-6-8-19/h4-8,10-13H,9,14-18H2,1-3H3
InChIKeyKZMXKBBOUMBRTH-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 108536427) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID108536427
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)21-12-10-20(11-13-21)23(28)26-17-15-25(16-18-26)22(27)14-9-19-7-5-4-6-8-19/h4-8,10-13H,9,14-18H2,1-3H3
InChIKeyKZMXKBBOUMBRTH-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802741
1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545580
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 32532383
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866719
3-(4-methylphenyl)-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544301
3-(4-tert-butylphenyl)-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 78850093
4-(4-tert-butylphenoxy)-1-[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546967

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 108536427) is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is KZMXKBBOUMBRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-24(2,3)21-12-10-20(11-13-21)23(28)26-17-15-25(16-18-26)22(27)14-9-19-7-5-4-6-8-19/h4-8,10-13H,9,14-18H2,1-3H3.
What are the key properties of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 378.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 108536427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).