N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H21F3N2O — CID 114693636

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1=CCNCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)12-3-1-2-11(8-12)13(20)19-9-10-4-6-18-7-5-10/h4,11-12,18H,1-3,5-9H2,(H,19,20)
InChIKeyDESLZPCBORDPLP-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.39
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114693636) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114693636
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1=CCNCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)12-3-1-2-11(8-12)13(20)19-9-10-4-6-18-7-5-10/h4,11-12,18H,1-3,5-9H2,(H,19,20)
InChIKeyDESLZPCBORDPLP-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114693636) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1=CCNCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DESLZPCBORDPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)12-3-1-2-11(8-12)13(20)19-9-10-4-6-18-7-5-10/h4,11-12,18H,1-3,5-9H2,(H,19,20).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114693636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).