N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H23F3N2O — CID 107487071

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)13-4-2-1-3-12(13)14(21)20-10-7-11-5-8-19-9-6-11/h5,12-13,19H,1-4,6-10H2,(H,20,21)
InChIKeyHNEZRVRCEMIEKI-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 107487071) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID107487071
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC1=CCNCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2O/c16-15(17,18)13-4-2-1-3-12(13)14(21)20-10-7-11-5-8-19-9-6-11/h5,12-13,19H,1-4,6-10H2,(H,20,21)
InChIKeyHNEZRVRCEMIEKI-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
N-[2-(1-cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide
CID 70897200
(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide
CID 89423528
trans-(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 142979898
N-[2-(cyclohexen-1-yl)ethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4066063
2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983936
N-[(E)-4-aminobut-2-enyl]-4,4-difluorocyclohexane-1-carboxamide
CID 104461730
N-[(E)-4-aminobut-2-enyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622521
(3S)-3-(aminomethyl)-5-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 104930316
[4-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963835

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 107487071) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCCC1=CCNCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HNEZRVRCEMIEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c16-15(17,18)13-4-2-1-3-12(13)14(21)20-10-7-11-5-8-19-9-6-11/h5,12-13,19H,1-4,6-10H2,(H,20,21).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107487071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).