2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one

C16H24N4O3 — CID 97273808

IUPAC2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCO[C@H]1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1
InChIInChI=1S/C16H24N4O3/c1-23-14-5-8-19(11-14)16(22)12-20-15(21)9-13(10-17-20)18-6-3-2-4-7-18/h9-10,14H,2-8,11-12H2,1H3/t14-/m0/s1
InChIKeyBTLAGTREDOIJFU-AWEZNQCLSA-N
MW320.39 g/mol
LogP0.48
Rot. Bonds4

About 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 97273808) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID97273808
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCO[C@H]1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1
InChIInChI=1S/C16H24N4O3/c1-23-14-5-8-19(11-14)16(22)12-20-15(21)9-13(10-17-20)18-6-3-2-4-7-18/h9-10,14H,2-8,11-12H2,1H3/t14-/m0/s1
InChIKeyBTLAGTREDOIJFU-AWEZNQCLSA-N
XLogP0.48
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one (CID 97273808) is 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one is CO[C@H]1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1.
What is the InChIKey of 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is BTLAGTREDOIJFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-14-5-8-19(11-14)16(22)12-20-15(21)9-13(10-17-20)18-6-3-2-4-7-18/h9-10,14H,2-8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 320.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 97273808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).