2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide

C23H27N3O3 — CID 109139044

IUPAC2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)C2CC2C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C23H27N3O3/c1-16-6-5-7-17(14-16)24-22(27)18-15-19(18)23(28)26-12-10-25(11-13-26)20-8-3-4-9-21(20)29-2/h3-9,14,18-19H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyIBFOQDHFOGMIFP-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide

2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 109139044) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID109139044
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)C2CC2C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C23H27N3O3/c1-16-6-5-7-17(14-16)24-22(27)18-15-19(18)23(28)26-12-10-25(11-13-26)20-8-3-4-9-21(20)29-2/h3-9,14,18-19H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyIBFOQDHFOGMIFP-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139237
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 109130680
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
N-butan-2-yl-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109131658
cis-methyl (1R,2S)-2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylate
CID 125129936
2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134584
2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119183557
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139020
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide (CID 109139044) is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide is COc1ccccc1N1CCN(C(=O)C2CC2C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is IBFOQDHFOGMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-6-5-7-17(14-16)24-22(27)18-15-19(18)23(28)26-12-10-25(11-13-26)20-8-3-4-9-21(20)29-2/h3-9,14,18-19H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide?
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109139044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).