6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid

C13H17N3O3 — CID 95804599

IUPAC6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
SMILESCC(=O)N1CCC[C@@H](Cc2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C13H17N3O3/c1-9(17)16-6-2-3-10(8-16)7-11-4-5-12(13(18)19)15-14-11/h4-5,10H,2-3,6-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyDACNKYVMFRHGPG-JTQLQIEISA-N
MW263.30 g/mol
LogP0.98
Rot. Bonds3

About 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid

6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid (PubChem CID 95804599) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
PubChem CID95804599
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
SMILESCC(=O)N1CCC[C@@H](Cc2ccc(C(=O)O)nn2)C1
InChIInChI=1S/C13H17N3O3/c1-9(17)16-6-2-3-10(8-16)7-11-4-5-12(13(18)19)15-14-11/h4-5,10H,2-3,6-8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyDACNKYVMFRHGPG-JTQLQIEISA-N
XLogP0.98
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
CID 110271511
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
CID 110271581
1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110255801
1-[4-[(6-chloropyridazin-3-yl)methyl]azepan-1-yl]ethanone
CID 66510068
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110271601
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid (CID 95804599) is 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid is CC(=O)N1CCC[C@@H](Cc2ccc(C(=O)O)nn2)C1.
What is the InChIKey of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid?
The InChIKey is DACNKYVMFRHGPG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(17)16-6-2-3-10(8-16)7-11-4-5-12(13(18)19)15-14-11/h4-5,10H,2-3,6-8H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid?
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 95804599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).