N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

C20H26N4O2 — CID 91917398

IUPACN-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C20H26N4O2/c1-22(14-16-7-4-3-5-8-16)19(25)11-17-9-6-10-24(15-17)18-12-20(26)23(2)21-13-18/h3-5,7-8,12-13,17H,6,9-11,14-15H2,1-2H3
InChIKeyMQFUFRNVONVFEU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.05
Rot. Bonds5

About N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide

N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917398) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917398
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C20H26N4O2/c1-22(14-16-7-4-3-5-8-16)19(25)11-17-9-6-10-24(15-17)18-12-20(26)23(2)21-13-18/h3-5,7-8,12-13,17H,6,9-11,14-15H2,1-2H3
InChIKeyMQFUFRNVONVFEU-UHFFFAOYSA-N
XLogP2.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 91907040
2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917430
N-[(3-fluorophenyl)methyl]-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
CID 91917412
2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 91917509
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628
2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 91917388
2-methyl-5-[3-[[(1-phenylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 45252002
5-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53204011
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-benzyl-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylpropanamide
CID 95103044
4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91906989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917398) is N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is CN(Cc1ccccc1)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is MQFUFRNVONVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22(14-16-7-4-3-5-8-16)19(25)11-17-9-6-10-24(15-17)18-12-20(26)23(2)21-13-18/h3-5,7-8,12-13,17H,6,9-11,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).