3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

C10H17F3N2O2 — CID 103821999

IUPAC3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)(F)F)CCCNC1
InChIInChI=1S/C10H17F3N2O2/c1-9(3-2-4-14-6-9)8(17)15-5-7(16)10(11,12)13/h7,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyXPBPINRZNDVIRY-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.42
Rot. Bonds3

About 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide

3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103821999) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103821999
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCC(O)C(F)(F)F)CCCNC1
InChIInChI=1S/C10H17F3N2O2/c1-9(3-2-4-14-6-9)8(17)15-5-7(16)10(11,12)13/h7,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyXPBPINRZNDVIRY-UHFFFAOYSA-N
XLogP0.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103821999) is 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is CC1(C(=O)NCC(O)C(F)(F)F)CCCNC1.
What is the InChIKey of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is XPBPINRZNDVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(3-2-4-14-6-9)8(17)15-5-7(16)10(11,12)13/h7,14,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide?
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103821999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).