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

C22H24FN3O3 — CID 109138487

IUPAC2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CC1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FN3O3/c1-29-20-5-3-2-4-19(20)24-21(27)17-14-18(17)22(28)26-12-10-25(11-13-26)16-8-6-15(23)7-9-16/h2-9,17-18H,10-14H2,1H3,(H,24,27)
InChIKeyUEBFAHZBVBEHMG-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.76
Rot. Bonds5

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

2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 109138487) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID109138487
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CC1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FN3O3/c1-29-20-5-3-2-4-19(20)24-21(27)17-14-18(17)22(28)26-12-10-25(11-13-26)16-8-6-15(23)7-9-16/h2-9,17-18H,10-14H2,1H3,(H,24,27)
InChIKeyUEBFAHZBVBEHMG-UHFFFAOYSA-N
XLogP2.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134583
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37187519
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442
2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109134727
N-(3-chloro-2-methylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138436
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 109130680
N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109135029
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
1-N-(3,5-dichlorophenyl)-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143352
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 109139044

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 109138487) is 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1NC(=O)C1CC1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is UEBFAHZBVBEHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-29-20-5-3-2-4-19(20)24-21(27)17-14-18(17)22(28)26-12-10-25(11-13-26)16-8-6-15(23)7-9-16/h2-9,17-18H,10-14H2,1H3,(H,24,27).
What are the key properties of 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide?
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).