tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate

C18H24FNO4 — CID 58817684

IUPACtert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOc1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1F
InChIInChI=1S/C18H24FNO4/c1-18(2,3)24-17(22)20-10-8-12(9-11-20)16(21)13-6-5-7-14(23-4)15(13)19/h5-7,12H,8-11H2,1-4H3
InChIKeyLNKTZRNQRRQESX-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate

tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate (PubChem CID 58817684) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
PubChem CID58817684
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Nametert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
SMILESCOc1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1F
InChIInChI=1S/C18H24FNO4/c1-18(2,3)24-17(22)20-10-8-12(9-11-20)16(21)13-6-5-7-14(23-4)15(13)19/h5-7,12H,8-11H2,1-4H3
InChIKeyLNKTZRNQRRQESX-UHFFFAOYSA-N
XLogP3.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-1-carboxylate
CID 58817540
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
1-O-tert-butyl 4-O-[2-(2-methoxyphenyl)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924019
tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123551
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 4-[(2-bromo-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 172648076
tert-butyl 4-(2,3-dimethoxybenzoyl)piperidine-1-carboxylate;4-(2,3-dimethoxyphenyl)piperidine-4-carbaldehyde
CID 86585529
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
tert-butyl 3-(5-chloro-2-methoxybenzoyl)pyrrolidine-1-carboxylate
CID 107091953
1-O-tert-butyl 4-O-[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924245
tert-butyl 3-(2,6-difluorobenzoyl)pyrrolidine-1-carboxylate
CID 107091983
tert-butyl 3-(2-fluoro-3-methoxyphenyl)-3-hydroxyazetidine-1-carboxylate
CID 82791697

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate (CID 58817684) is tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate is COc1cccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1F.
What is the InChIKey of tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate?
The InChIKey is LNKTZRNQRRQESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-18(2,3)24-17(22)20-10-8-12(9-11-20)16(21)13-6-5-7-14(23-4)15(13)19/h5-7,12H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate?
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate has a molecular weight of 337.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 58817684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).