2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide

C17H20FN3O3 — CID 109134727

IUPAC2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O3/c1-11(22)20-6-8-21(9-7-20)17(24)13-10-12(13)16(23)19-15-5-3-2-4-14(15)18/h2-5,12-13H,6-10H2,1H3,(H,19,23)
InChIKeyOACHOBXKAPQIFK-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.09
Rot. Bonds3

About 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide

2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 109134727) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID109134727
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O3/c1-11(22)20-6-8-21(9-7-20)17(24)13-10-12(13)16(23)19-15-5-3-2-4-14(15)18/h2-5,12-13H,6-10H2,1H3,(H,19,23)
InChIKeyOACHOBXKAPQIFK-UHFFFAOYSA-N
XLogP1.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132656
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716
N-(2,6-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134311
N-(2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134208
2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109140690
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
2-(2-ethylpiperidine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109140302
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 109138487
trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
CID 178138593
1-N-(2-fluorophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135951
1-N-(2-fluorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131515

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 109134727) is 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide is CC(=O)N1CCN(C(=O)C2CC2C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is OACHOBXKAPQIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11(22)20-6-8-21(9-7-20)17(24)13-10-12(13)16(23)19-15-5-3-2-4-14(15)18/h2-5,12-13H,6-10H2,1H3,(H,19,23).
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide?
2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).