(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide

C21H30N4O — CID 108838418

IUPAC(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCC(C)N(/C=C(/C#N)C(=O)N(C)C1CCN(C)CC1)Cc1ccccc1
InChIInChI=1S/C21H30N4O/c1-17(2)25(15-18-8-6-5-7-9-18)16-19(14-22)21(26)24(4)20-10-12-23(3)13-11-20/h5-9,16-17,20H,10-13,15H2,1-4H3/b19-16-
InChIKeyCLPQYXZWUDDHAE-MNDPQUGUSA-N
MW354.50 g/mol
LogP2.86
Rot. Bonds6

About (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide

(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 108838418) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID108838418
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCC(C)N(/C=C(/C#N)C(=O)N(C)C1CCN(C)CC1)Cc1ccccc1
InChIInChI=1S/C21H30N4O/c1-17(2)25(15-18-8-6-5-7-9-18)16-19(14-22)21(26)24(4)20-10-12-23(3)13-11-20/h5-9,16-17,20H,10-13,15H2,1-4H3/b19-16-
InChIKeyCLPQYXZWUDDHAE-MNDPQUGUSA-N
XLogP2.86
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide 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

(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830342
(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108838404
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838632
(Z)-2-cyano-N-methyl-3-[(3-methylphenyl)methylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838711
(Z)-N-benzyl-3-[benzyl(propan-2-yl)amino]-2-cyanoprop-2-enamide
CID 108842126
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838453
methyl 2-[[(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]amino]benzoate
CID 108838476
(Z)-2-cyano-N-methyl-3-[2-(2-methylphenyl)ethylamino]-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838717
(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838679
(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833215
(Z)-2-cyano-3-[(2-methoxyphenyl)methylamino]-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838648
(Z)-3-(2-bromo-4-methylanilino)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 108838682

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (CID 108838418) is (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is CC(C)N(/C=C(/C#N)C(=O)N(C)C1CCN(C)CC1)Cc1ccccc1.
What is the InChIKey of (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is CLPQYXZWUDDHAE-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17(2)25(15-18-8-6-5-7-9-18)16-19(14-22)21(26)24(4)20-10-12-23(3)13-11-20/h5-9,16-17,20H,10-13,15H2,1-4H3/b19-16-.
What are the key properties of (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 354.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 108838418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).