5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one

C19H31N5O2 — CID 56882845

IUPAC5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one
SMILESCC1CCCN(C(=O)CCn2ncc(N3CCCN(C)CC3)cc2=O)C1
InChIInChI=1S/C19H31N5O2/c1-16-5-3-8-23(15-16)18(25)6-10-24-19(26)13-17(14-20-24)22-9-4-7-21(2)11-12-22/h13-14,16H,3-12,15H2,1-2H3
InChIKeyKSSYRDCHYLJDNZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.03
Rot. Bonds4

About 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one

5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one (PubChem CID 56882845) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one
PubChem CID56882845
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one
SMILESCC1CCCN(C(=O)CCn2ncc(N3CCCN(C)CC3)cc2=O)C1
InChIInChI=1S/C19H31N5O2/c1-16-5-3-8-23(15-16)18(25)6-10-24-19(26)13-17(14-20-24)22-9-4-7-21(2)11-12-22/h13-14,16H,3-12,15H2,1-2H3
InChIKeyKSSYRDCHYLJDNZ-UHFFFAOYSA-N
XLogP1.03
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one with MolForge

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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
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
N-butyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202111
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
5-[4-(4-Methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202144
N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202190
5-[4-(4-Ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202199
N-methyl-1-(6-oxo-1-propyl-1,6-dihydro-4-pyridazinyl)-N-propyl-4-piperidinecarboxamide
CID 53202201

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
The IUPAC name of 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one (CID 56882845) is 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one.
What is the SMILES notation for 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
The canonical SMILES for 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one is CC1CCCN(C(=O)CCn2ncc(N3CCCN(C)CC3)cc2=O)C1.
What is the InChIKey of 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
The InChIKey is KSSYRDCHYLJDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-16-5-3-8-23(15-16)18(25)6-10-24-19(26)13-17(14-20-24)22-9-4-7-21(2)11-12-22/h13-14,16H,3-12,15H2,1-2H3.
What are the key properties of 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one has a molecular weight of 361.49 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,4-diazepan-1-yl)-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one is sourced from PubChem (CID 56882845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).