N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide

C19H23F3N2O — CID 145076435

IUPACN-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=C(/C=C\C(=C)C(F)(F)F)C1=C(C(=O)NC2CCNCC2)C=CCC1
InChIInChI=1S/C19H23F3N2O/c1-13(7-8-14(2)19(20,21)22)16-5-3-4-6-17(16)18(25)24-15-9-11-23-12-10-15/h4,6-8,15,23H,1-3,5,9-12H2,(H,24,25)/b8-7-
InChIKeyQUISISJOEPGJRB-FPLPWBNLSA-N
MW352.40 g/mol
LogP3.73
Rot. Bonds5

About N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide

N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 145076435) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID145076435
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=C(/C=C\C(=C)C(F)(F)F)C1=C(C(=O)NC2CCNCC2)C=CCC1
InChIInChI=1S/C19H23F3N2O/c1-13(7-8-14(2)19(20,21)22)16-5-3-4-6-17(16)18(25)24-15-9-11-23-12-10-15/h4,6-8,15,23H,1-3,5,9-12H2,(H,24,25)/b8-7-
InChIKeyQUISISJOEPGJRB-FPLPWBNLSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.73
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-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide (CID 145076435) is N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide is C=C(/C=C\C(=C)C(F)(F)F)C1=C(C(=O)NC2CCNCC2)C=CCC1.
What is the InChIKey of N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is QUISISJOEPGJRB-FPLPWBNLSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-13(7-8-14(2)19(20,21)22)16-5-3-4-6-17(16)18(25)24-15-9-11-23-12-10-15/h4,6-8,15,23H,1-3,5,9-12H2,(H,24,25)/b8-7-.
What are the key properties of N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide?
N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 145076435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).