1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide

C19H24N4O2 — CID 108820804

IUPAC1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)/C(C#N)=C\N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)14-3-5-17(6-4-14)22-19(25)16(11-20)12-23-9-7-15(8-10-23)18(21)24/h3-6,12-13,15H,7-10H2,1-2H3,(H2,21,24)(H,22,25)/b16-12-
InChIKeyWQXJXGLNWFDFKS-VBKFSLOCSA-N
MW340.43 g/mol
LogP2.35
Rot. Bonds5

About 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide

1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide (PubChem CID 108820804) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide
PubChem CID108820804
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)/C(C#N)=C\N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)14-3-5-17(6-4-14)22-19(25)16(11-20)12-23-9-7-15(8-10-23)18(21)24/h3-6,12-13,15H,7-10H2,1-2H3,(H2,21,24)(H,22,25)/b16-12-
InChIKeyWQXJXGLNWFDFKS-VBKFSLOCSA-N
XLogP2.35
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
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 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-(4-benzylpiperidin-1-yl)-2-cyano-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820583
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820568
1-[(Z)-2-cyano-3-[1-(3,4-dimethoxyphenyl)ethylamino]-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108847185
3-[[(Z)-3-(4-carbamoylpiperidin-1-yl)-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819686
1-[(Z)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108821177
methyl 2-[[(Z)-3-(4-carbamoylpiperidin-1-yl)-2-cyanoprop-2-enoyl]amino]benzoate
CID 108851661
(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108860772
1-[(Z)-3-(3-chloro-4-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108825787
(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820584
(Z)-2-cyano-3-(cyclopentylamino)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820576
(Z)-N-(4-aminophenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108818082
(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide (CID 108820804) is 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)/C(C#N)=C\N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide?
The InChIKey is WQXJXGLNWFDFKS-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)14-3-5-17(6-4-14)22-19(25)16(11-20)12-23-9-7-15(8-10-23)18(21)24/h3-6,12-13,15H,7-10H2,1-2H3,(H2,21,24)(H,22,25)/b16-12-.
What are the key properties of 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide?
1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 108820804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).