1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C16H24N4O — CID 39830966

IUPAC1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(CCN3CCCC3=O)CC2)nn1
InChIInChI=1S/C16H24N4O/c1-13-4-5-15(18-17-13)19-10-6-14(7-11-19)8-12-20-9-2-3-16(20)21/h4-5,14H,2-3,6-12H2,1H3
InChIKeyRWLIZFFYBIFWSB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 39830966) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID39830966
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(CCN3CCCC3=O)CC2)nn1
InChIInChI=1S/C16H24N4O/c1-13-4-5-15(18-17-13)19-10-6-14(7-11-19)8-12-20-9-2-3-16(20)21/h4-5,14H,2-3,6-12H2,1H3
InChIKeyRWLIZFFYBIFWSB-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 39830966) is 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is Cc1ccc(N2CCC(CCN3CCCC3=O)CC2)nn1.
What is the InChIKey of 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is RWLIZFFYBIFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-4-5-15(18-17-13)19-10-6-14(7-11-19)8-12-20-9-2-3-16(20)21/h4-5,14H,2-3,6-12H2,1H3.
What are the key properties of 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 39830966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).