2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one

C15H22N4O2 — CID 110196821

IUPAC2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCC(C(=O)N3CCCCC3)C2)cc1=O
InChIInChI=1S/C15H22N4O2/c1-17-14(20)9-13(10-16-17)19-8-5-12(11-19)15(21)18-6-3-2-4-7-18/h9-10,12H,2-8,11H2,1H3
InChIKeyVBWOKYCHELFGIL-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.62
Rot. Bonds2

About 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one

2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one (PubChem CID 110196821) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one
PubChem CID110196821
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCC(C(=O)N3CCCCC3)C2)cc1=O
InChIInChI=1S/C15H22N4O2/c1-17-14(20)9-13(10-16-17)19-8-5-12(11-19)15(21)18-6-3-2-4-7-18/h9-10,12H,2-8,11H2,1H3
InChIKeyVBWOKYCHELFGIL-UHFFFAOYSA-N
XLogP0.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
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
N,N-dimethyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202142
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143
5-[4-(4-Methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202144

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one (CID 110196821) is 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one is Cn1ncc(N2CCC(C(=O)N3CCCCC3)C2)cc1=O.
What is the InChIKey of 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
The InChIKey is VBWOKYCHELFGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-14(20)9-13(10-16-17)19-8-5-12(11-19)15(21)18-6-3-2-4-7-18/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 110196821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).