N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide

C15H22N2O — CID 123176103

IUPACN-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(=C)C=C(C=CC)C1CCNCC1
InChIInChI=1S/C15H22N2O/c1-4-6-14(13-7-9-16-10-8-13)11-12(3)17-15(18)5-2/h4-6,11,13,16H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyUIKTUEZAZDIJLX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.30
Rot. Bonds5

About N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide

N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide (PubChem CID 123176103) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide
PubChem CID123176103
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(=C)C=C(C=CC)C1CCNCC1
InChIInChI=1S/C15H22N2O/c1-4-6-14(13-7-9-16-10-8-13)11-12(3)17-15(18)5-2/h4-6,11,13,16H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyUIKTUEZAZDIJLX-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.30
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 N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide?
The IUPAC name of N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide (CID 123176103) is N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide is C=CC(=O)NC(=C)C=C(C=CC)C1CCNCC1.
What is the InChIKey of N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide?
The InChIKey is UIKTUEZAZDIJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-6-14(13-7-9-16-10-8-13)11-12(3)17-15(18)5-2/h4-6,11,13,16H,2-3,7-10H2,1H3,(H,17,18).
What are the key properties of N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide?
N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide has a molecular weight of 246.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-ylhepta-1,3,5-trien-2-yl)prop-2-enamide is sourced from PubChem (CID 123176103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).