1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide

C19H22N4O2 — CID 108834944

IUPAC1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESN#C/C(=C/N1CCC(C(N)=O)CC1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N4O2/c20-12-16(13-22-10-7-15(8-11-22)18(21)24)19(25)23-9-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15H,3,5,7-11H2,(H2,21,24)/b16-13-
InChIKeyWXRJUIFCLBOFFY-SSZFMOIBSA-N
MW338.41 g/mol
LogP1.57
Rot. Bonds3

About 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide

1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide (PubChem CID 108834944) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
PubChem CID108834944
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESN#C/C(=C/N1CCC(C(N)=O)CC1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N4O2/c20-12-16(13-22-10-7-15(8-11-22)18(21)24)19(25)23-9-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15H,3,5,7-11H2,(H2,21,24)/b16-13-
InChIKeyWXRJUIFCLBOFFY-SSZFMOIBSA-N
XLogP1.57
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
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-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-(2,3-dihydroindol-1-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108834941
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108505743
ethyl 4-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108834975
(Z)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108835025
N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108834945
(Z)-3-[cyclohexyl(methyl)amino]-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108834702
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(3,4-dimethoxyanilino)prop-2-enenitrile
CID 108834661
(Z)-3-(4-chloroanilino)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108834784
(Z)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108834974
1-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108862046
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(2-fluoroanilino)prop-2-enenitrile
CID 108834813
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(2-methylanilino)prop-2-enenitrile
CID 108834678

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide (CID 108834944) is 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide is N#C/C(=C/N1CCC(C(N)=O)CC1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The InChIKey is WXRJUIFCLBOFFY-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-12-16(13-22-10-7-15(8-11-22)18(21)24)19(25)23-9-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15H,3,5,7-11H2,(H2,21,24)/b16-13-.
What are the key properties of 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 108834944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).