(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one

C18H22N2O — CID 129066262

IUPAC(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one
SMILESCN1CCC(C2=C/C(=C3/C=CC=CC3=O)N(C)C=C2)CC1
InChIInChI=1S/C18H22N2O/c1-19-10-7-14(8-11-19)15-9-12-20(2)17(13-15)16-5-3-4-6-18(16)21/h3-6,9,12-14H,7-8,10-11H2,1-2H3/b17-16+
InChIKeyCIEUDFCSRYIXRW-WUKNDPDISA-N
MW282.39 g/mol
LogP2.66
Rot. Bonds1

About (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one

(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one (PubChem CID 129066262) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one
PubChem CID129066262
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one
SMILESCN1CCC(C2=C/C(=C3/C=CC=CC3=O)N(C)C=C2)CC1
InChIInChI=1S/C18H22N2O/c1-19-10-7-14(8-11-19)15-9-12-20(2)17(13-15)16-5-3-4-6-18(16)21/h3-6,9,12-14H,7-8,10-11H2,1-2H3/b17-16+
InChIKeyCIEUDFCSRYIXRW-WUKNDPDISA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one (CID 129066262) is (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one is CN1CCC(C2=C/C(=C3/C=CC=CC3=O)N(C)C=C2)CC1.
What is the InChIKey of (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is CIEUDFCSRYIXRW-WUKNDPDISA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-10-7-14(8-11-19)15-9-12-20(2)17(13-15)16-5-3-4-6-18(16)21/h3-6,9,12-14H,7-8,10-11H2,1-2H3/b17-16+.
What are the key properties of (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one?
(6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 282.39 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[1-methyl-4-(1-methylpiperidin-4-yl)-2-pyridinylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 129066262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).