3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen

C9H20F2N2O — CID 176945899

IUPAC3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
SMILESCC.CN1CCC(C(N)=O)C(F)(F)C1.[H][H]
InChIInChI=1S/C7H12F2N2O.C2H6.H2/c1-11-3-2-5(6(10)12)7(8,9)4-11;1-2;/h5H,2-4H2,1H3,(H2,10,12);1-2H3;1H
InChIKeyMXFCDUMTNDQASC-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.33
Rot. Bonds1

About 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen

3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen (PubChem CID 176945899) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
PubChem CID176945899
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
SMILESCC.CN1CCC(C(N)=O)C(F)(F)C1.[H][H]
InChIInChI=1S/C7H12F2N2O.C2H6.H2/c1-11-3-2-5(6(10)12)7(8,9)4-11;1-2;/h5H,2-4H2,1H3,(H2,10,12);1-2H3;1H
InChIKeyMXFCDUMTNDQASC-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane
CID 142404443
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
ethane;N,1,3,3-tetramethylpiperidine-4-carboxamide
CID 166075526
2-[(3,3-difluoro-1-methylpiperidin-4-yl)methylsulfanyl]acetic acid
CID 142350707
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
CID 170578014
1,3-dimethylpiperidine-4-carboxamide;ethane
CID 166075774
3,3-difluoropiperidine-1,4-dicarboxylic acid
CID 144706599
ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 91609044

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen (CID 176945899) is 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen is CC.CN1CCC(C(N)=O)C(F)(F)C1.[H][H].
What is the InChIKey of 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?
The InChIKey is MXFCDUMTNDQASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O.C2H6.H2/c1-11-3-2-5(6(10)12)7(8,9)4-11;1-2;/h5H,2-4H2,1H3,(H2,10,12);1-2H3;1H.
What are the key properties of 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen?
3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen has a molecular weight of 210.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 176945899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).