3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide

C10H17F3N2O — CID 63227756

IUPAC3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7-3-2-5-14-8(7)9(16)15-6-4-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyLJTXFXRHJDRAKT-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds3

About 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide

3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide (PubChem CID 63227756) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide
PubChem CID63227756
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7-3-2-5-14-8(7)9(16)15-6-4-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyLJTXFXRHJDRAKT-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide (CID 63227756) is 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide is CC1CCCNC1C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide?
The InChIKey is LJTXFXRHJDRAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7-3-2-5-14-8(7)9(16)15-6-4-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide?
3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,3,3-trifluoropropyl)piperidine-2-carboxamide is sourced from PubChem (CID 63227756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).