3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide

C19H20F2N2O2 — CID 46029181

IUPAC3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(OCc2cc(F)ccc2F)C1
InChIInChI=1S/C19H20F2N2O2/c20-15-8-9-18(21)14(11-15)13-25-17-7-4-10-23(12-17)19(24)22-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,17H,4,7,10,12-13H2,(H,22,24)
InChIKeyCLIIRNKYNQGJSV-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.18
Rot. Bonds4

About 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide

3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide (PubChem CID 46029181) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
PubChem CID46029181
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(OCc2cc(F)ccc2F)C1
InChIInChI=1S/C19H20F2N2O2/c20-15-8-9-18(21)14(11-15)13-25-17-7-4-10-23(12-17)19(24)22-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,17H,4,7,10,12-13H2,(H,22,24)
InChIKeyCLIIRNKYNQGJSV-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93224041
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
[(3R)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223845
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223844
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
N-phenyl-3-prop-2-enoxypiperidine-1-carboxamide
CID 42656426
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide (CID 46029181) is 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(OCc2cc(F)ccc2F)C1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The InChIKey is CLIIRNKYNQGJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-15-8-9-18(21)14(11-15)13-25-17-7-4-10-23(12-17)19(24)22-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,17H,4,7,10,12-13H2,(H,22,24).
What are the key properties of 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46029181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).