(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one

C20H22N2O — CID 92926170

IUPAC(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
SMILESNC1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O/c21-19-12-14-22(15-13-19)20(23)11-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-11,19H,12-15,21H2/b11-8+
InChIKeyYOZMZJSWRPPRMZ-DHZHZOJOSA-N
MW306.41 g/mol
LogP3.32
Rot. Bonds3

About (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one

(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 92926170) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
PubChem CID92926170
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
SMILESNC1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N2O/c21-19-12-14-22(15-13-19)20(23)11-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-11,19H,12-15,21H2/b11-8+
InChIKeyYOZMZJSWRPPRMZ-DHZHZOJOSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 82042424
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
methyl 4-[(E)-3-(4-aminopiperidin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 92922385
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 82043241
(E)-3-(4-aminophenyl)-1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
CID 84552569
1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one
CID 77061668
1-(3-aminopiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 61295900
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 81468865
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43238979
(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 92921074

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one (CID 92926170) is (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one is NC1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is YOZMZJSWRPPRMZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22N2O/c21-19-12-14-22(15-13-19)20(23)11-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-11,19H,12-15,21H2/b11-8+.
What are the key properties of (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one?
(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 306.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 92926170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).