3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide

C12H21F3N2O — CID 134505506

IUPAC3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(C)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)17-6-4-11(3,5-7-17)16-10(18)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeySRLXAPCKJQLRLC-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.32
Rot. Bonds3

About 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide

3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 134505506) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID134505506
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(C)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)17-6-4-11(3,5-7-17)16-10(18)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeySRLXAPCKJQLRLC-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide (CID 134505506) is 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(C)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is SRLXAPCKJQLRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)17-6-4-11(3,5-7-17)16-10(18)8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide?
3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 266.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 134505506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).