(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

C20H18F3NO3 — CID 43029960

IUPAC(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F3NO3/c21-15-5-6-16(18(23)11-15)19(25)24-9-7-13(8-10-24)20(26)27-12-14-3-1-2-4-17(14)22/h1-6,11,13H,7-10,12H2
InChIKeySPTQSWNVMMGOAO-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.70
Rot. Bonds4

About (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (PubChem CID 43029960) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
PubChem CID43029960
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F3NO3/c21-15-5-6-16(18(23)11-15)19(25)24-9-7-13(8-10-24)20(26)27-12-14-3-1-2-4-17(14)22/h1-6,11,13H,7-10,12H2
InChIKeySPTQSWNVMMGOAO-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
(4-nitrophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30321129
(5-chlorothiadiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 31543415
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 35603787
[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30321357
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 24595324

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (CID 43029960) is (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is O=C(OCc1ccccc1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is SPTQSWNVMMGOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c21-15-5-6-16(18(23)11-15)19(25)24-9-7-13(8-10-24)20(26)27-12-14-3-1-2-4-17(14)22/h1-6,11,13H,7-10,12H2.
What are the key properties of (2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 377.36 g/mol, XLogP of 3.70, 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-(2,4-difluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43029960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).