N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide

C16H20F6N2O — CID 123491001

IUPACN-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide
SMILESC=C(C=C(C=C(C)NC(=O)CC1CCNCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F6N2O/c1-10(15(17,18)19)7-13(16(20,21)22)8-11(2)24-14(25)9-12-3-5-23-6-4-12/h7-8,12,23H,1,3-6,9H2,2H3,(H,24,25)
InChIKeyDGXYYQKOHYLZBZ-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.00
Rot. Bonds5

About N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide

N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide (PubChem CID 123491001) has the molecular formula C16H20F6N2O and a molecular weight of 370.34 g/mol. Its IUPAC name is N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide
PubChem CID123491001
Molecular FormulaC16H20F6N2O
Molecular Weight370.34 g/mol
Exact Mass370.15
IUPAC NameN-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide
SMILESC=C(C=C(C=C(C)NC(=O)CC1CCNCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F6N2O/c1-10(15(17,18)19)7-13(16(20,21)22)8-11(2)24-14(25)9-12-3-5-23-6-4-12/h7-8,12,23H,1,3-6,9H2,2H3,(H,24,25)
InChIKeyDGXYYQKOHYLZBZ-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide (CID 123491001) is N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide is C=C(C=C(C=C(C)NC(=O)CC1CCNCC1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide?
The InChIKey is DGXYYQKOHYLZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6N2O/c1-10(15(17,18)19)7-13(16(20,21)22)8-11(2)24-14(25)9-12-3-5-23-6-4-12/h7-8,12,23H,1,3-6,9H2,2H3,(H,24,25).
What are the key properties of N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide?
N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide has a molecular weight of 370.34 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 123491001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).