2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide

C17H25F3N2O2 — CID 75408170

IUPAC2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESCC1CCC(=CC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H25F3N2O2/c1-12-2-4-13(5-3-12)10-15(23)21-11-14-6-8-22(9-7-14)16(24)17(18,19)20/h10,12,14H,2-9,11H2,1H3,(H,21,23)/b13-10-
InChIKeyREBOQXODIUOJLN-RAXLEYEMSA-N
MW346.39 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide

2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (PubChem CID 75408170) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
PubChem CID75408170
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESCC1CCC(=CC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H25F3N2O2/c1-12-2-4-13(5-3-12)10-15(23)21-11-14-6-8-22(9-7-14)16(24)17(18,19)20/h10,12,14H,2-9,11H2,1H3,(H,21,23)/b13-10-
InChIKeyREBOQXODIUOJLN-RAXLEYEMSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-N-{2-[1-(3,3,3-trifluoropropyl)piperidin-3-YL]ethyl}but-2-enamide
CID 56753750
N-(2,2-difluorobutyl)-9-ethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123247620
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747398
5-(4,4-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one
CID 163237844
5-(4,4-Difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one
CID 163238151
(3E,4E)-2-methyl-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-4-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 163957088
5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 164734760
5-(4,4-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one;hydrochloride
CID 164734888
N,N-dimethyl-2-[4-[2-[4-(trifluoromethyl)piperazin-1-yl]ethyl]cyclohexylidene]acetamide
CID 175260564
5-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 176905881
5-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 178111901
3-methyl-N-[2-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethyl]but-2-enamide
CID 95215030

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (CID 75408170) is 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is CC1CCC(=CC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is REBOQXODIUOJLN-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-12-2-4-13(5-3-12)10-15(23)21-11-14-6-8-22(9-7-14)16(24)17(18,19)20/h10,12,14H,2-9,11H2,1H3,(H,21,23)/b13-10-.
What are the key properties of 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexylidene)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 75408170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).