2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide

C14H21F3N2O3 — CID 57127943

IUPAC2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide
SMILESO=C(NC1(C(=O)N2CCC(O)CC2)CCCCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)11(21)18-13(6-2-1-3-7-13)12(22)19-8-4-10(20)5-9-19/h10,20H,1-9H2,(H,18,21)
InChIKeyCLUMORLJYQNLKK-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.35
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide

2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide (PubChem CID 57127943) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide
PubChem CID57127943
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide
SMILESO=C(NC1(C(=O)N2CCC(O)CC2)CCCCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)11(21)18-13(6-2-1-3-7-13)12(22)19-8-4-10(20)5-9-19/h10,20H,1-9H2,(H,18,21)
InChIKeyCLUMORLJYQNLKK-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[1-(4-methylpiperidine-1-carbonyl)cyclohexyl]acetamide
CID 88242457
1-(1-Hydroxy-2-methylpropan-2-yl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
CID 134907461
4-(1-Hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
CID 134907588
1-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 54874258
4-(2,2-Difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878813
4-(3,3,3-Trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878823
4-(2,2,2-Trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879000
1-(2,2-Difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64881285
1-(3,3,3-Trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64881289
3-Ethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64884951
15-(2,2-Difluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane-6,14-dione
CID 64884967
4-(2,2-Difluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885525

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide (CID 57127943) is 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide is O=C(NC1(C(=O)N2CCC(O)CC2)CCCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide?
The InChIKey is CLUMORLJYQNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)11(21)18-13(6-2-1-3-7-13)12(22)19-8-4-10(20)5-9-19/h10,20H,1-9H2,(H,18,21).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide?
2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide has a molecular weight of 322.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 57127943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).