4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one

C14H22N4O — CID 114393138

IUPAC4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCC(CN3CCCC3)CC2)cn[nH]1
InChIInChI=1S/C14H22N4O/c19-14-9-13(10-15-16-14)18-7-3-12(4-8-18)11-17-5-1-2-6-17/h9-10,12H,1-8,11H2,(H,16,19)
InChIKeyZWPKYWFTINBQIY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.08
Rot. Bonds3

About 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 114393138) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID114393138
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCC(CN3CCCC3)CC2)cn[nH]1
InChIInChI=1S/C14H22N4O/c19-14-9-13(10-15-16-14)18-7-3-12(4-8-18)11-17-5-1-2-6-17/h9-10,12H,1-8,11H2,(H,16,19)
InChIKeyZWPKYWFTINBQIY-UHFFFAOYSA-N
XLogP1.08
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propylazepan-1-yl)-1H-pyridazin-6-one
CID 114393178
1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 114393008
4-[4-[[(3R)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95191684
3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
CID 91911745
1-[[1-(5-piperidin-1-yl-3-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 177134591
1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53202067
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 107229402
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-5-amine
CID 61138916
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
2-ethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009557

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 114393138) is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one is O=c1cc(N2CCC(CN3CCCC3)CC2)cn[nH]1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is ZWPKYWFTINBQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-9-13(10-15-16-14)18-7-3-12(4-8-18)11-17-5-1-2-6-17/h9-10,12H,1-8,11H2,(H,16,19).
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 114393138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).