(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one

C24H30N2O — CID 18316782

IUPAC(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one
SMILESCC1(C)CC(N/C(=C/C(=O)c2ccccc2)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C24H30N2O/c1-23(2)16-20(17-24(3,4)26-23)25-21(18-11-7-5-8-12-18)15-22(27)19-13-9-6-10-14-19/h5-15,20,25-26H,16-17H2,1-4H3/b21-15+
InChIKeyTXCUNIGPVVWVEL-RCCKNPSSSA-N
MW362.52 g/mol
LogP4.81
Rot. Bonds5

About (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one

(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one (PubChem CID 18316782) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one
PubChem CID18316782
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one
SMILESCC1(C)CC(N/C(=C/C(=O)c2ccccc2)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C24H30N2O/c1-23(2)16-20(17-24(3,4)26-23)25-21(18-11-7-5-8-12-18)15-22(27)19-13-9-6-10-14-19/h5-15,20,25-26H,16-17H2,1-4H3/b21-15+
InChIKeyTXCUNIGPVVWVEL-RCCKNPSSSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]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)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
CID 6186115
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
4-anilino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679426
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17425450
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide;hydrochloride
CID 126477708
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424524
2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one
CID 70420025
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1,3-dicarboxamide
CID 162717936

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one?
The IUPAC name of (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one (CID 18316782) is (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one?
The canonical SMILES for (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one is CC1(C)CC(N/C(=C/C(=O)c2ccccc2)c2ccccc2)CC(C)(C)N1.
What is the InChIKey of (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one?
The InChIKey is TXCUNIGPVVWVEL-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H30N2O/c1-23(2)16-20(17-24(3,4)26-23)25-21(18-11-7-5-8-12-18)15-22(27)19-13-9-6-10-14-19/h5-15,20,25-26H,16-17H2,1-4H3/b21-15+.
What are the key properties of (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one?
(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one has a molecular weight of 362.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one is sourced from PubChem (CID 18316782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).