(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

C20H26N4O3 — CID 95115844

IUPAC(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
InChIInChI=1S/C20H26N4O3/c1-27-11-9-21-20(26)17-8-5-10-23(15-17)18-12-19(25)24(22-13-18)14-16-6-3-2-4-7-16/h2-4,6-7,12-13,17H,5,8-11,14-15H2,1H3,(H,21,26)/t17-/m1/s1
InChIKeyAETPBUQKVVTLBC-QGZVFWFLSA-N
MW370.45 g/mol
LogP1.27
Rot. Bonds7

About (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 95115844) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID95115844
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
InChIInChI=1S/C20H26N4O3/c1-27-11-9-21-20(26)17-8-5-10-23(15-17)18-12-19(25)24(22-13-18)14-16-6-3-2-4-7-16/h2-4,6-7,12-13,17H,5,8-11,14-15H2,1H3,(H,21,26)/t17-/m1/s1
InChIKeyAETPBUQKVVTLBC-QGZVFWFLSA-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

1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53202272
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95115735
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95116015
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95115799
(3R)-N-[2-[benzyl(ethyl)amino]ethyl]-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115958
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 53204140
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 53204075
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide
CID 95115899
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95115892
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 53204023
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 95115832

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 95115844) is (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1.
What is the InChIKey of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is AETPBUQKVVTLBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-27-11-9-21-20(26)17-8-5-10-23(15-17)18-12-19(25)24(22-13-18)14-16-6-3-2-4-7-16/h2-4,6-7,12-13,17H,5,8-11,14-15H2,1H3,(H,21,26)/t17-/m1/s1.
What are the key properties of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-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 (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95115844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).