3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide

C10H18F2N2O — CID 129349085

IUPAC3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CC[C@@H](C)C(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-8-3-5-14(7-10(8,11)12)6-4-9(15)13-2/h8H,3-7H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyGIHTWYGLUAXVQI-MRVPVSSYSA-N
MW220.26 g/mol
LogP1.10
Rot. Bonds3

About 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide

3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide (PubChem CID 129349085) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide
PubChem CID129349085
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CC[C@@H](C)C(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-8-3-5-14(7-10(8,11)12)6-4-9(15)13-2/h8H,3-7H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyGIHTWYGLUAXVQI-MRVPVSSYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-difluoro-4-methylpiperidin-1-yl)propan-1-ol
CID 126787142
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
N-methyl-4-[4-(methylamino)piperidin-1-yl]butanamide
CID 63891147
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N-methylpropanamide
CID 131182035
3-(3-hydroxyazetidin-1-yl)-N-methylpropanamide
CID 63282149
N-methyl-3-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]propanamide
CID 96566413
N-methyl-3-(2-methylmorpholin-4-yl)propanamide
CID 131041683
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
N-methyl-3-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]propanamide
CID 71916708
3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
CID 90442249

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide (CID 129349085) is 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CC[C@@H](C)C(F)(F)C1.
What is the InChIKey of 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide?
The InChIKey is GIHTWYGLUAXVQI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-8-3-5-14(7-10(8,11)12)6-4-9(15)13-2/h8H,3-7H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide?
3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide has a molecular weight of 220.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 129349085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).