4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide

C10H17F3N2O — CID 106995303

IUPAC4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
SMILESCC1CC(NC(=O)CCC(F)(F)F)CCN1
InChIInChI=1S/C10H17F3N2O/c1-7-6-8(3-5-14-7)15-9(16)2-4-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyZCZMHCCPKXKBEL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.59
Rot. Bonds3

About 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide

4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide (PubChem CID 106995303) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
PubChem CID106995303
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
SMILESCC1CC(NC(=O)CCC(F)(F)F)CCN1
InChIInChI=1S/C10H17F3N2O/c1-7-6-8(3-5-14-7)15-9(16)2-4-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyZCZMHCCPKXKBEL-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995184
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
CID 120600804
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
4-(dipropylamino)-N-(2-methylpiperidin-4-yl)butanamide;dihydrochloride
CID 120602359
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
CID 106995402
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide
CID 106995080

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide (CID 106995303) is 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide is CC1CC(NC(=O)CCC(F)(F)F)CCN1.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide?
The InChIKey is ZCZMHCCPKXKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7-6-8(3-5-14-7)15-9(16)2-4-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide?
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide has a molecular weight of 238.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 106995303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).