1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone

C16H25N5O2 — CID 71872246

IUPAC1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(CNc2cccnn2)C1)N1CCCCC1
InChIInChI=1S/C16H25N5O2/c22-16(21-7-2-1-3-8-21)13-20-9-10-23-14(12-20)11-17-15-5-4-6-18-19-15/h4-6,14H,1-3,7-13H2,(H,17,19)
InChIKeyVXSMQTGZSCQGQI-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.60
Rot. Bonds5

About 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone

1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone (PubChem CID 71872246) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone
PubChem CID71872246
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(CNc2cccnn2)C1)N1CCCCC1
InChIInChI=1S/C16H25N5O2/c22-16(21-7-2-1-3-8-21)13-20-9-10-23-14(12-20)11-17-15-5-4-6-18-19-15/h4-6,14H,1-3,7-13H2,(H,17,19)
InChIKeyVXSMQTGZSCQGQI-UHFFFAOYSA-N
XLogP0.60
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone (CID 71872246) is 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone is O=C(CN1CCOC(CNc2cccnn2)C1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone?
The InChIKey is VXSMQTGZSCQGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-16(21-7-2-1-3-8-21)13-20-9-10-23-14(12-20)11-17-15-5-4-6-18-19-15/h4-6,14H,1-3,7-13H2,(H,17,19).
What are the key properties of 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone?
1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone has a molecular weight of 319.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 71872246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).