2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

C17H26N4O2 — CID 53202211

IUPAC2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O2/c1-2-7-21-16(22)12-15(13-18-21)19-10-5-14(6-11-19)17(23)20-8-3-4-9-20/h12-14H,2-11H2,1H3
InChIKeyYMVONBQGVRKPBV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.49
Rot. Bonds4

About 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 53202211) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
PubChem CID53202211
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O2/c1-2-7-21-16(22)12-15(13-18-21)19-10-5-14(6-11-19)17(23)20-8-3-4-9-20/h12-14H,2-11H2,1H3
InChIKeyYMVONBQGVRKPBV-UHFFFAOYSA-N
XLogP1.49
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202195
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202223
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
5-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 97206841
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-amino-3-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394073
2-ethoxy-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
CID 91924055
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (CID 53202211) is 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCCC3)CC2)cc1=O.
What is the InChIKey of 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is YMVONBQGVRKPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-7-21-16(22)12-15(13-18-21)19-10-5-14(6-11-19)17(23)20-8-3-4-9-20/h12-14H,2-11H2,1H3.
What are the key properties of 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53202211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).