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

C16H22F2N2O2 — CID 46029174

IUPAC3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H22F2N2O2/c1-11(2)19-16(21)20-5-3-4-15(9-20)22-10-12-6-13(17)8-14(18)7-12/h6-8,11,15H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyLSVIFTUYFSAIJH-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.06
Rot. Bonds4

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

3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 46029174) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID46029174
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H22F2N2O2/c1-11(2)19-16(21)20-5-3-4-15(9-20)22-10-12-6-13(17)8-14(18)7-12/h6-8,11,15H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyLSVIFTUYFSAIJH-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028989
(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891212
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
cyclopentyl-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46153645
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 46028750
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 46029181
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide (CID 46029174) is 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(OCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is LSVIFTUYFSAIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11(2)19-16(21)20-5-3-4-15(9-20)22-10-12-6-13(17)8-14(18)7-12/h6-8,11,15H,3-5,9-10H2,1-2H3,(H,19,21).
What are the key properties of 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide?
3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46029174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).