1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one

C19H28N2O3 — CID 110800214

IUPAC1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C(C)C)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-13(2)15-6-7-17(24-5)16(12-15)19(23)21-10-8-20(9-11-21)18(22)14(3)4/h6-7,12-14H,8-11H2,1-5H3
InChIKeyKNLISVNBJJYDDY-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.76
Rot. Bonds4

About 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 110800214) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID110800214
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C(C)C)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-13(2)15-6-7-17(24-5)16(12-15)19(23)21-10-8-20(9-11-21)18(22)14(3)4/h6-7,12-14H,8-11H2,1-5H3
InChIKeyKNLISVNBJJYDDY-UHFFFAOYSA-N
XLogP2.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801424
[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803045
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805042
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805992
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-[4-(4-methoxy-2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806238
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796836
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272
(2S)-1-[4-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one
CID 44625195

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one (CID 110800214) is 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one is COc1ccc(C(C)C)cc1C(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is KNLISVNBJJYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)15-6-7-17(24-5)16(12-15)19(23)21-10-8-20(9-11-21)18(22)14(3)4/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110800214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).