(2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide

C14H20F2N2O — CID 170599685

IUPAC(2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide
SMILESC=C/C=C(C)/C(=C/C)C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C14H20F2N2O/c1-4-6-10(3)11(5-2)13(19)18-12-7-8-17-9-14(12,15)16/h4-6,12,17H,1,7-9H2,2-3H3,(H,18,19)/b10-6+,11-5-
InChIKeyISRGSXWYGVQAAM-NYHKZRGGSA-N
MW270.32 g/mol
LogP2.18
Rot. Bonds4

About (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide

(2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide (PubChem CID 170599685) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide
PubChem CID170599685
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide
SMILESC=C/C=C(C)/C(=C/C)C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C14H20F2N2O/c1-4-6-10(3)11(5-2)13(19)18-12-7-8-17-9-14(12,15)16/h4-6,12,17H,1,7-9H2,2-3H3,(H,18,19)/b10-6+,11-5-
InChIKeyISRGSXWYGVQAAM-NYHKZRGGSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide?
The IUPAC name of (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide (CID 170599685) is (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide.
What is the SMILES notation for (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide?
The canonical SMILES for (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide is C=C/C=C(C)/C(=C/C)C(=O)NC1CCNCC1(F)F.
What is the InChIKey of (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide?
The InChIKey is ISRGSXWYGVQAAM-NYHKZRGGSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-6-10(3)11(5-2)13(19)18-12-7-8-17-9-14(12,15)16/h4-6,12,17H,1,7-9H2,2-3H3,(H,18,19)/b10-6+,11-5-.
What are the key properties of (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide?
(2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide has a molecular weight of 270.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-N-(3,3-difluoropiperidin-4-yl)-2-ethylidene-3-methylhexa-3,5-dienamide is sourced from PubChem (CID 170599685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).