(E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide

C22H26N2O — CID 6435644

IUPAC(E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide
SMILESCN1CCCC(CN(C(=O)/C=C/c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H26N2O/c1-23-16-8-11-20(17-23)18-24(21-12-6-3-7-13-21)22(25)15-14-19-9-4-2-5-10-19/h2-7,9-10,12-15,20H,8,11,16-18H2,1H3/b15-14+
InChIKeyFDJLURZXOAAUSK-CCEZHUSRSA-N
MW334.46 g/mol
LogP4.07
Rot. Bonds5

About (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide

(E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide (PubChem CID 6435644) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide
PubChem CID6435644
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide
SMILESCN1CCCC(CN(C(=O)/C=C/c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H26N2O/c1-23-16-8-11-20(17-23)18-24(21-12-6-3-7-13-21)22(25)15-14-19-9-4-2-5-10-19/h2-7,9-10,12-15,20H,8,11,16-18H2,1H3/b15-14+
InChIKeyFDJLURZXOAAUSK-CCEZHUSRSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide (CID 6435644) is (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide is CN1CCCC(CN(C(=O)/C=C/c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide?
The InChIKey is FDJLURZXOAAUSK-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23-16-8-11-20(17-23)18-24(21-12-6-3-7-13-21)22(25)15-14-19-9-4-2-5-10-19/h2-7,9-10,12-15,20H,8,11,16-18H2,1H3/b15-14+.
What are the key properties of (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide?
(E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide has a molecular weight of 334.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-methylpiperidin-3-yl)methyl]-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 6435644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).