4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one

C16H26N4O2 — CID 168963861

IUPAC4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one
SMILESCc1c(NC[C@H]2CCCOC2)cnn(C2CCNCC2)c1=O
InChIInChI=1S/C16H26N4O2/c1-12-15(18-9-13-3-2-8-22-11-13)10-19-20(16(12)21)14-4-6-17-7-5-14/h10,13-14,17-18H,2-9,11H2,1H3/t13-/m1/s1
InChIKeyZKIACOHUTLUKPC-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.31
Rot. Bonds4

About 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one

4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one (PubChem CID 168963861) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one
PubChem CID168963861
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one
SMILESCc1c(NC[C@H]2CCCOC2)cnn(C2CCNCC2)c1=O
InChIInChI=1S/C16H26N4O2/c1-12-15(18-9-13-3-2-8-22-11-13)10-19-20(16(12)21)14-4-6-17-7-5-14/h10,13-14,17-18H,2-9,11H2,1H3/t13-/m1/s1
InChIKeyZKIACOHUTLUKPC-CYBMUJFWSA-N
XLogP1.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one?
The IUPAC name of 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one (CID 168963861) is 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one?
The canonical SMILES for 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one is Cc1c(NC[C@H]2CCCOC2)cnn(C2CCNCC2)c1=O.
What is the InChIKey of 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one?
The InChIKey is ZKIACOHUTLUKPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-15(18-9-13-3-2-8-22-11-13)10-19-20(16(12)21)14-4-6-17-7-5-14/h10,13-14,17-18H,2-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one?
4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one has a molecular weight of 306.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one is sourced from PubChem (CID 168963861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).