N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide

C15H20F6N2O2 — CID 177030545

IUPACN-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
SMILESO=C(NCC(O)=C1CCC1)C1(C(F)(F)F)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H20F6N2O2/c16-14(17,18)9-23-6-4-13(5-7-23,15(19,20)21)12(25)22-8-11(24)10-2-1-3-10/h24H,1-9H2,(H,22,25)
InChIKeyNFDYCODKQNAFIY-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.31
Rot. Bonds4

About N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide

N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide (PubChem CID 177030545) has the molecular formula C15H20F6N2O2 and a molecular weight of 374.33 g/mol. Its IUPAC name is N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
PubChem CID177030545
Molecular FormulaC15H20F6N2O2
Molecular Weight374.33 g/mol
Exact Mass374.14
IUPAC NameN-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
SMILESO=C(NCC(O)=C1CCC1)C1(C(F)(F)F)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H20F6N2O2/c16-14(17,18)9-23-6-4-13(5-7-23,15(19,20)21)12(25)22-8-11(24)10-2-1-3-10/h24H,1-9H2,(H,22,25)
InChIKeyNFDYCODKQNAFIY-UHFFFAOYSA-N
XLogP3.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
CID 170588040
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
(2S)-3-(5-isoquinolin-1-ylnaphthalen-1-yl)-2-[[1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carbonyl]amino]propanoic acid
CID 177292294
1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 99827527
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120946487
tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 164896897
N-(3-aminopropyl)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119407848
1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708729
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 81097234
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968090
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
CID 177032527
1-benzyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 56522219

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide (CID 177030545) is N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide is O=C(NCC(O)=C1CCC1)C1(C(F)(F)F)CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
The InChIKey is NFDYCODKQNAFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6N2O2/c16-14(17,18)9-23-6-4-13(5-7-23,15(19,20)21)12(25)22-8-11(24)10-2-1-3-10/h24H,1-9H2,(H,22,25).
What are the key properties of N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide?
N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide has a molecular weight of 374.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylidene-2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide is sourced from PubChem (CID 177030545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).