3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

C11H16N4O2 — CID 103805953

IUPAC3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESNCC1CCCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C11H16N4O2/c12-6-8-2-1-5-15(7-8)11(17)9-3-4-10(16)14-13-9/h3-4,8H,1-2,5-7,12H2,(H,14,16)
InChIKeyGUOSDGYPCOOLFN-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.42
Rot. Bonds2

About 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 103805953) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID103805953
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESNCC1CCCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C11H16N4O2/c12-6-8-2-1-5-15(7-8)11(17)9-3-4-10(16)14-13-9/h3-4,8H,1-2,5-7,12H2,(H,14,16)
InChIKeyGUOSDGYPCOOLFN-UHFFFAOYSA-N
XLogP-0.42
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714
3-[3-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 90505304
3-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 26402578
3-[3-[(4-tert-butyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 153429392
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 78919715
3-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81043427
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909
3-[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 99992157

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 103805953) is 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is NCC1CCCN(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is GUOSDGYPCOOLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-6-8-2-1-5-15(7-8)11(17)9-3-4-10(16)14-13-9/h3-4,8H,1-2,5-7,12H2,(H,14,16).
What are the key properties of 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 236.27 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 103805953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).