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

C13H23ClF2N2O2 — CID 120890442

IUPAC3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2CC(F)(F)C2)CCNCC1.Cl
InChIInChI=1S/C13H22F2N2O2.ClH/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);1H
InChIKeyXNXMZQCCLITGFM-UHFFFAOYSA-N
MW312.79 g/mol
LogP1.59
Rot. Bonds5

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

3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride (PubChem CID 120890442) has the molecular formula C13H23ClF2N2O2 and a molecular weight of 312.79 g/mol. Its IUPAC name is 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride
PubChem CID120890442
Molecular FormulaC13H23ClF2N2O2
Molecular Weight312.79 g/mol
Exact Mass312.14
IUPAC Name3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2CC(F)(F)C2)CCNCC1.Cl
InChIInChI=1S/C13H22F2N2O2.ClH/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);1H
InChIKeyXNXMZQCCLITGFM-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride (CID 120890442) is 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride is COCC1(CNC(=O)C2CC(F)(F)C2)CCNCC1.Cl.
What is the InChIKey of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is XNXMZQCCLITGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2.ClH/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);1H.
What are the key properties of 3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride?
3,3-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 312.79 g/mol, XLogP of 1.59, 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;hydrochloride is sourced from PubChem (CID 120890442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).