2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide

C7H9F3N2O2 — CID 63374613

IUPAC2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-4-1-2-5(13)11-3-4/h4H,1-3H2,(H,11,13)(H,12,14)
InChIKeyQVPNVUFCBFZCRH-UHFFFAOYSA-N
MW210.15 g/mol
LogP-0.06
Rot. Bonds1

About 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide

2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide (PubChem CID 63374613) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
PubChem CID63374613
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide
SMILESO=C1CCC(NC(=O)C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-4-1-2-5(13)11-3-4/h4H,1-3H2,(H,11,13)(H,12,14)
InChIKeyQVPNVUFCBFZCRH-UHFFFAOYSA-N
XLogP-0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 130684227
2-hydroxy-N-(6-oxopiperidin-3-yl)-2,2-diphenylacetamide
CID 111102359
1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
CID 78916658
2-carbamothioyl-2-methyl-N-(6-oxopiperidin-3-yl)butanamide
CID 113270650
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
N-(6-oxopiperidin-3-yl)pyrrolidine-3-carboxamide
CID 63663368
2,2-dimethyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]propanamide
CID 62897735
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide (CID 63374613) is 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide is O=C1CCC(NC(=O)C(F)(F)F)CN1.
What is the InChIKey of 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide?
The InChIKey is QVPNVUFCBFZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-4-1-2-5(13)11-3-4/h4H,1-3H2,(H,11,13)(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide?
2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide has a molecular weight of 210.15 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 63374613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).