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

C16H26N4O2 — CID 91917424

IUPACN-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-4-7-18(2)15(21)9-13-6-5-8-20(12-13)14-10-16(22)19(3)17-11-14/h10-11,13H,4-9,12H2,1-3H3
InChIKeyCHSVATKVAOSGQB-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds5

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

N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide (PubChem CID 91917424) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide
PubChem CID91917424
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-4-7-18(2)15(21)9-13-6-5-8-20(12-13)14-10-16(22)19(3)17-11-14/h10-11,13H,4-9,12H2,1-3H3
InChIKeyCHSVATKVAOSGQB-UHFFFAOYSA-N
XLogP1.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-{4-[(1-propionyl-3-piperidinyl)carbonyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 72906911
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
4-[3-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91917369
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
N-Cyclopropyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91917542
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202050
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202063

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide?
The IUPAC name of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide (CID 91917424) is N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide.
What is the SMILES notation for N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide?
The canonical SMILES for N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide is CCCN(C)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide?
The InChIKey is CHSVATKVAOSGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-7-18(2)15(21)9-13-6-5-8-20(12-13)14-10-16(22)19(3)17-11-14/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide?
N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide has a molecular weight of 306.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-propylacetamide is sourced from PubChem (CID 91917424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).