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

C16H24N4O2 — CID 91917427

IUPACN-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C16H24N4O2/c1-19-16(22)8-14(10-18-19)20-6-2-3-13(11-20)7-15(21)17-9-12-4-5-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,21)
InChIKeyGDOGFJHBMSQRHI-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.91
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917427) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917427
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C16H24N4O2/c1-19-16(22)8-14(10-18-19)20-6-2-3-13(11-20)7-15(21)17-9-12-4-5-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,21)
InChIKeyGDOGFJHBMSQRHI-UHFFFAOYSA-N
XLogP0.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
(2S)-2-amino-2-cyclohexyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}acetamide
CID 70773681
3-Cyclohexyl-N-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 91911737
"3-cyclopentyl-N-[1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide"
CID 91911745
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
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917427) is N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is Cn1ncc(N2CCCC(CC(=O)NCC3CC3)C2)cc1=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is GDOGFJHBMSQRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-16(22)8-14(10-18-19)20-6-2-3-13(11-20)7-15(21)17-9-12-4-5-12/h8,10,12-13H,2-7,9,11H2,1H3,(H,17,21).
What are the key properties of N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide?
N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).