2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate

C18H23FN2O3 — CID 71981364

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate
SMILESO=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccccc1F
InChIInChI=1S/C18H23FN2O3/c19-16-7-2-1-6-15(16)18(23)24-13-12-20-8-10-21(11-9-20)17(22)14-4-3-5-14/h1-2,6-7,14H,3-5,8-13H2
InChIKeyDEFXKBMCEAWVOI-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate (PubChem CID 71981364) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate
PubChem CID71981364
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate
SMILESO=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccccc1F
InChIInChI=1S/C18H23FN2O3/c19-16-7-2-1-6-15(16)18(23)24-13-12-20-8-10-21(11-9-20)17(22)14-4-3-5-14/h1-2,6-7,14H,3-5,8-13H2
InChIKeyDEFXKBMCEAWVOI-UHFFFAOYSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate
CID 71976414
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate (CID 71981364) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate is O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccccc1F.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate?
The InChIKey is DEFXKBMCEAWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-16-7-2-1-6-15(16)18(23)24-13-12-20-8-10-21(11-9-20)17(22)14-4-3-5-14/h1-2,6-7,14H,3-5,8-13H2.
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate has a molecular weight of 334.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate is sourced from PubChem (CID 71981364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).