1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C20H26N4O3 — CID 53202272

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C20H26N4O3/c1-27-12-9-21-20(26)17-7-10-23(11-8-17)18-13-19(25)24(22-14-18)15-16-5-3-2-4-6-16/h2-6,13-14,17H,7-12,15H2,1H3,(H,21,26)
InChIKeyLSMGUQTUZAZSAX-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.27
Rot. Bonds7

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 53202272) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID53202272
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C20H26N4O3/c1-27-12-9-21-20(26)17-7-10-23(11-8-17)18-13-19(25)24(22-14-18)15-16-5-3-2-4-6-16/h2-6,13-14,17H,7-12,15H2,1H3,(H,21,26)
InChIKeyLSMGUQTUZAZSAX-UHFFFAOYSA-N
XLogP1.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95115844
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53202280
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 53202309
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53202240
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95114431
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95114430
1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
CID 53202291
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202295
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95115735
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
CID 91911804

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 53202272) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is LSMGUQTUZAZSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-27-12-9-21-20(26)17-7-10-23(11-8-17)18-13-19(25)24(22-14-18)15-16-5-3-2-4-6-16/h2-6,13-14,17H,7-12,15H2,1H3,(H,21,26).
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).