(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

C17H20FNO3 — CID 60612350

IUPAC(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H20FNO3/c18-15-6-2-1-4-14(15)11-22-17(21)13-5-3-9-19(10-13)16(20)12-7-8-12/h1-2,4,6,12-13H,3,5,7-11H2
InChIKeyZCEVCMBPRMJKKL-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.52
Rot. Bonds4

About (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (PubChem CID 60612350) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
PubChem CID60612350
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H20FNO3/c18-15-6-2-1-4-14(15)11-22-17(21)13-5-3-9-19(10-13)16(20)12-7-8-12/h1-2,4,6,12-13H,3,5,7-11H2
InChIKeyZCEVCMBPRMJKKL-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
(2-fluorophenyl)methyl piperidine-4-carboxylate
CID 63933211
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate
CID 55996017
(4-bromo-2-fluorophenyl)methyl 1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 102563547
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 25384762
(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
azepan-1-yl-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone
CID 7472159

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (CID 60612350) is (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is O=C(OCc1ccccc1F)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The InChIKey is ZCEVCMBPRMJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-15-6-2-1-4-14(15)11-22-17(21)13-5-3-9-19(10-13)16(20)12-7-8-12/h1-2,4,6,12-13H,3,5,7-11H2.
What are the key properties of (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate has a molecular weight of 305.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 60612350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).