3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide

C13H23F3N2O — CID 43603425

IUPAC3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)8-11(19)18(9-13(14,15)16)10-4-6-17-7-5-10/h10,17H,4-9H2,1-3H3
InChIKeyYGBXXJXQSCMLGW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds3

About 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide

3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 43603425) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID43603425
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)(C)CC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)8-11(19)18(9-13(14,15)16)10-4-6-17-7-5-10/h10,17H,4-9H2,1-3H3
InChIKeyYGBXXJXQSCMLGW-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butylcarbonylaminopiperidine
CID 1445176
N-(1-ethylpiperidin-4-yl)butanamide
CID 17250288
3,3-dimethyl-N-(1-methyl(4-piperidyl))butanamide
CID 25236109
2-ethyl-N-(1-methyl(4-piperidyl))butanamide
CID 25236112
2,2-dimethyl-N-[1-(methylethyl)(4-piperidyl)]propanamide
CID 25236580
3-methyl-N-[1-(propan-2-yl)piperidin-4-yl]butanamide
CID 25236581
N-[1-(propan-2-yl)piperidin-4-yl]butanamide
CID 25236642
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
N-[1-(2-fluoroethyl)piperidin-4-yl]acetamide
CID 130652776
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
CID 135063588

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 43603425) is 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)(C)CC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YGBXXJXQSCMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(2,3)8-11(19)18(9-13(14,15)16)10-4-6-17-7-5-10/h10,17H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide?
3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 43603425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).