N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

C20H31N5O2 — CID 110210321

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCN2CCCCC12)C1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C20H31N5O2/c26-19-7-6-18(22-23-19)25-12-8-15(9-13-25)20(27)21-14-16-4-3-11-24-10-2-1-5-17(16)24/h6-7,15-17H,1-5,8-14H2,(H,21,27)(H,23,26)
InChIKeyULHDWCGRINKQLP-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.37
Rot. Bonds4

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 110210321) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
PubChem CID110210321
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCN2CCCCC12)C1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C20H31N5O2/c26-19-7-6-18(22-23-19)25-12-8-15(9-13-25)20(27)21-14-16-4-3-11-24-10-2-1-5-17(16)24/h6-7,15-17H,1-5,8-14H2,(H,21,27)(H,23,26)
InChIKeyULHDWCGRINKQLP-UHFFFAOYSA-N
XLogP1.37
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexanecarboxamide
CID 71277091
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 91637213
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
CID 91639402
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 45371494
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110876784
(3R)-N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100906200
(3R)-N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100905805
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 99732094
3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one
CID 121205033
3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one
CID 129497593
(3S)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 100899532
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 134125918

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (CID 110210321) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is O=C(NCC1CCCN2CCCCC12)C1CCN(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is ULHDWCGRINKQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19-7-6-18(22-23-19)25-12-8-15(9-13-25)20(27)21-14-16-4-3-11-24-10-2-1-5-17(16)24/h6-7,15-17H,1-5,8-14H2,(H,21,27)(H,23,26).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 110210321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).