1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

C21H30N4O3 — CID 120753922

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H30N4O3/c1-28-19-5-3-2-4-17(19)18-14-22-8-9-25(18)15-20(26)23-10-12-24(13-11-23)21(27)16-6-7-16/h2-5,16,18,22H,6-15H2,1H3
InChIKeyWJLVLNSYHJJPKV-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.72
Rot. Bonds5

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 120753922) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID120753922
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CNCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H30N4O3/c1-28-19-5-3-2-4-17(19)18-14-22-8-9-25(18)15-20(26)23-10-12-24(13-11-23)21(27)16-6-7-16/h2-5,16,18,22H,6-15H2,1H3
InChIKeyWJLVLNSYHJJPKV-UHFFFAOYSA-N
XLogP0.72
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120753855
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
N-[1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120753617
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120753860
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 120753922) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1C1CNCCN1CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is WJLVLNSYHJJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-28-19-5-3-2-4-17(19)18-14-22-8-9-25(18)15-20(26)23-10-12-24(13-11-23)21(27)16-6-7-16/h2-5,16,18,22H,6-15H2,1H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120753922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).