1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone

C20H28N2O3 — CID 110800548

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone
SMILESCOc1c(C)cc(CC(=O)N2CCN(C(=O)C3CC3)CC2)c(C)c1C
InChIInChI=1S/C20H28N2O3/c1-13-11-17(14(2)15(3)19(13)25-4)12-18(23)21-7-9-22(10-8-21)20(24)16-5-6-16/h11,16H,5-10,12H2,1-4H3
InChIKeyJVDOFVZNLFAUMO-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.24
Rot. Bonds4

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone (PubChem CID 110800548) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone
PubChem CID110800548
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone
SMILESCOc1c(C)cc(CC(=O)N2CCN(C(=O)C3CC3)CC2)c(C)c1C
InChIInChI=1S/C20H28N2O3/c1-13-11-17(14(2)15(3)19(13)25-4)12-18(23)21-7-9-22(10-8-21)20(24)16-5-6-16/h11,16H,5-10,12H2,1-4H3
InChIKeyJVDOFVZNLFAUMO-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769371
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110800533
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110800534
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110803874
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110806586
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110803893
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110806605
2-(5-chloro-4-methoxy-2-methylphenyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110800542
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 110809430
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110800562
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 110806584

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone (CID 110800548) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone is COc1c(C)cc(CC(=O)N2CCN(C(=O)C3CC3)CC2)c(C)c1C.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
The InChIKey is JVDOFVZNLFAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13-11-17(14(2)15(3)19(13)25-4)12-18(23)21-7-9-22(10-8-21)20(24)16-5-6-16/h11,16H,5-10,12H2,1-4H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone has a molecular weight of 344.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone is sourced from PubChem (CID 110800548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).