2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one

C18H27N5O3 — CID 72906911

IUPAC2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESCCC(=O)N1CCCC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H27N5O3/c1-3-16(24)23-6-4-5-14(13-23)18(26)22-9-7-21(8-10-22)15-11-17(25)20(2)19-12-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyVPJPVQLKPGQSJX-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.08
Rot. Bonds3

About 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 72906911) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID72906911
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESCCC(=O)N1CCCC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H27N5O3/c1-3-16(24)23-6-4-5-14(13-23)18(26)22-9-7-21(8-10-22)15-11-17(25)20(2)19-12-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyVPJPVQLKPGQSJX-UHFFFAOYSA-N
XLogP0.08
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-{4-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72861124
5-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72887593
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
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
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202054
4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202063
N-butyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202111
2-Methyl-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202114
5-[4-(4-Butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53202123
2-Methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
CID 53202124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one (CID 72906911) is 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one is CCC(=O)N1CCCC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1.
What is the InChIKey of 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is VPJPVQLKPGQSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-3-16(24)23-6-4-5-14(13-23)18(26)22-9-7-21(8-10-22)15-11-17(25)20(2)19-12-15/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 361.45 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(1-propanoylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 72906911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).