N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide

C18H19N3O3 — CID 167809419

IUPACN-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2cccc3ccc(=O)[nH]c23)C1
InChIInChI=1S/C18H19N3O3/c1-2-16(23)21-10-4-6-13(11-21)18(24)19-14-7-3-5-12-8-9-15(22)20-17(12)14/h2-3,5,7-9,13H,1,4,6,10-11H2,(H,19,24)(H,20,22)
InChIKeyNCAWLCUQGSEZPV-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.89
Rot. Bonds3

About N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide

N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 167809419) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID167809419
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2cccc3ccc(=O)[nH]c23)C1
InChIInChI=1S/C18H19N3O3/c1-2-16(23)21-10-4-6-13(11-21)18(24)19-14-7-3-5-12-8-9-15(22)20-17(12)14/h2-3,5,7-9,13H,1,4,6,10-11H2,(H,19,24)(H,20,22)
InChIKeyNCAWLCUQGSEZPV-UHFFFAOYSA-N
XLogP1.89
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-prop-2-enoyl-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide
CID 167799793
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412978
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411399
1-prop-2-enoyl-N'-(3-sulfanylidene-4H-quinoxalin-2-yl)piperidine-3-carbohydrazide
CID 166287455
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920
N'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167971343
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411311
1-(2-ethyl-6-methylphenyl)-3-[(1-prop-2-enoylpiperidine-3-carbonyl)amino]thiourea
CID 166287450
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
1-(4-fluorobenzoyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-3-carboxamide
CID 24535111

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide (CID 167809419) is N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)Nc2cccc3ccc(=O)[nH]c23)C1.
What is the InChIKey of N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is NCAWLCUQGSEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-16(23)21-10-4-6-13(11-21)18(24)19-14-7-3-5-12-8-9-15(22)20-17(12)14/h2-3,5,7-9,13H,1,4,6,10-11H2,(H,19,24)(H,20,22).
What are the key properties of N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide?
N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-quinolin-8-yl)-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 167809419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).