2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide

C19H26FN3O2 — CID 109134337

IUPAC2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C19H26FN3O2/c1-2-22-9-11-23(12-10-22)19(25)16-13-15(16)18(24)21-8-7-14-5-3-4-6-17(14)20/h3-6,15-16H,2,7-13H2,1H3,(H,21,24)
InChIKeyBPLGGDLSFZCRAQ-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.28
Rot. Bonds6

About 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide

2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 109134337) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID109134337
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CC2C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C19H26FN3O2/c1-2-22-9-11-23(12-10-22)19(25)16-13-15(16)18(24)21-8-7-14-5-3-4-6-17(14)20/h3-6,15-16H,2,7-13H2,1H3,(H,21,24)
InChIKeyBPLGGDLSFZCRAQ-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828
trans-(1S,2S)-N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95271735
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134375
N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131815
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961274
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133636
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide (CID 109134337) is 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide is CCN1CCN(C(=O)C2CC2C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is BPLGGDLSFZCRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-2-22-9-11-23(12-10-22)19(25)16-13-15(16)18(24)21-8-7-14-5-3-4-6-17(14)20/h3-6,15-16H,2,7-13H2,1H3,(H,21,24).
What are the key properties of 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109134337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).