3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide

C13H22F2N2O2 — CID 120890443

IUPAC3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCC1(CNC(=O)C2CC(F)(F)C2)CCNCC1
InChIInChI=1S/C13H22F2N2O2/c1-19-9-12(2-4-16-5-3-12)8-17-11(18)10-6-13(14,15)7-10/h10,16H,2-9H2,1H3,(H,17,18)
InChIKeyZMWLWVVDLYZVLK-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.16
Rot. Bonds5

About 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide

3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 120890443) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
PubChem CID120890443
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCC1(CNC(=O)C2CC(F)(F)C2)CCNCC1
InChIInChI=1S/C13H22F2N2O2/c1-19-9-12(2-4-16-5-3-12)8-17-11(18)10-6-13(14,15)7-10/h10,16H,2-9H2,1H3,(H,17,18)
InChIKeyZMWLWVVDLYZVLK-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylcyclopropyl)-2,2,2-trifluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 123724865
2,2,2-trifluoro-N-[1-[4-(methoxymethyl)piperidin-4-yl]ethyl]-N-[(1R,2R)-2-methylcyclopropyl]acetamide
CID 148039088
N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 158070102
[3,3-Difluoro-1-[4-(methylamino)butan-2-yl]cyclobutyl]-(1,3-oxazinan-3-yl)methanone
CID 166715390
1-(2,2-dimethylpropanoyl)-N-[4-(2,2,2-trifluoroethoxy)butyl]piperidine-4-carboxamide
CID 45915742
4-(Butoxymethyl)-3,3-difluoropiperidin-2-one
CID 46177421
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl 3-(cyclobutanecarbonylamino)propanoate
CID 60343451
N-(3-ethoxypropyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61030194
N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 63122034
1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
CID 86928855
4-(methoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)piperidine-4-carboxamide
CID 105937560
4-(methoxymethyl)-N-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide (CID 120890443) is 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide is COCC1(CNC(=O)C2CC(F)(F)C2)CCNCC1.
What is the InChIKey of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is ZMWLWVVDLYZVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-19-9-12(2-4-16-5-3-12)8-17-11(18)10-6-13(14,15)7-10/h10,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 276.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 120890443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).