1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone

C17H24N2O3 — CID 110761401

IUPAC1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1C(C)C
InChIInChI=1S/C17H24N2O3/c1-12(2)15-11-14(5-6-16(15)22-4)17(21)19-9-7-18(8-10-19)13(3)20/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPCNXOUKPBHDYKU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.12
Rot. Bonds3

About 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone

1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 110761401) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID110761401
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1C(C)C
InChIInChI=1S/C17H24N2O3/c1-12(2)15-11-14(5-6-16(15)22-4)17(21)19-9-7-18(8-10-19)13(3)20/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPCNXOUKPBHDYKU-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 154762450
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (CID 110761401) is 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1C(C)C.
What is the InChIKey of 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is PCNXOUKPBHDYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)15-11-14(5-6-16(15)22-4)17(21)19-9-7-18(8-10-19)13(3)20/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110761401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).