methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate

C15H17F2NO4 — CID 134039327

IUPACmethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2NO4/c1-21-14(20)12-7-2-3-8-18(12)13(19)10-5-4-6-11(9-10)22-15(16)17/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyGFUIETYEPBFEJI-UHFFFAOYSA-N
MW313.30 g/mol
LogP2.46
Rot. Bonds4

About methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate

methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate (PubChem CID 134039327) has the molecular formula C15H17F2NO4 and a molecular weight of 313.30 g/mol. Its IUPAC name is methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
PubChem CID134039327
Molecular FormulaC15H17F2NO4
Molecular Weight313.30 g/mol
Exact Mass313.11
IUPAC Namemethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2NO4/c1-21-14(20)12-7-2-3-8-18(12)13(19)10-5-4-6-11(9-10)22-15(16)17/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyGFUIETYEPBFEJI-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925
[2-(bromomethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 80658459
[2-(bromomethyl)azepan-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 116639325
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl 1-[3-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate (CID 134039327) is methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate?
The InChIKey is GFUIETYEPBFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO4/c1-21-14(20)12-7-2-3-8-18(12)13(19)10-5-4-6-11(9-10)22-15(16)17/h4-6,9,12,15H,2-3,7-8H2,1H3.
What are the key properties of methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate?
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate has a molecular weight of 313.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 134039327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).