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

C10H16F4N2O — CID 114169272

IUPAC2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide
SMILESCC1(C(=O)NCC(F)(F)C(F)F)CCCCN1
InChIInChI=1S/C10H16F4N2O/c1-9(4-2-3-5-16-9)8(17)15-6-10(13,14)7(11)12/h7,16H,2-6H2,1H3,(H,15,17)
InChIKeyDVXXLHMBDCEYGZ-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.54
Rot. Bonds4

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

2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide (PubChem CID 114169272) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide
PubChem CID114169272
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC Name2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide
SMILESCC1(C(=O)NCC(F)(F)C(F)F)CCCCN1
InChIInChI=1S/C10H16F4N2O/c1-9(4-2-3-5-16-9)8(17)15-6-10(13,14)7(11)12/h7,16H,2-6H2,1H3,(H,15,17)
InChIKeyDVXXLHMBDCEYGZ-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Piperidine-2-carboxylic acid tert-butylamide
CID 5289197
N-tert-butylpiperidine-2-carboxamide
CID 3318550
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
1-Methyl-4-(3,3,4,4-tetrafluorobutyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70771016
2-Piperidinone, 3-amino-3-(difluoromethyl)-
CID 574631
3-Methyl-3-propylpiperazin-2-one
CID 54773632
(2R)-N-tert-butylpiperidine-2-carboxamide
CID 40607542
N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 45798041
Piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 54936761
Propanamide, N-[3-(difluoromethyl)-2-oxo-3-piperidyl]-2,2,3,3,3-pentafluoro-
CID 533937
Butanamide, N-[3-(difluoromethyl)-2-oxo-3-piperidyl], heptafluoro-
CID 549839
3-Amino-3-(difluoromethyl)piperidin-2-one;hydrochloride
CID 19966328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide (CID 114169272) is 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide is CC1(C(=O)NCC(F)(F)C(F)F)CCCCN1.
What is the InChIKey of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide?
The InChIKey is DVXXLHMBDCEYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c1-9(4-2-3-5-16-9)8(17)15-6-10(13,14)7(11)12/h7,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide?
2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide has a molecular weight of 256.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidine-2-carboxamide is sourced from PubChem (CID 114169272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).