5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one

C20H23N3O2 — CID 126951612

IUPAC5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCC(Oc3cccc4[nH]ccc34)CC2)ccc1=O
InChIInChI=1S/C20H23N3O2/c1-22-13-15(5-6-20(22)24)14-23-11-8-16(9-12-23)25-19-4-2-3-18-17(19)7-10-21-18/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3
InChIKeyIZKDUEBKCAKRDA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.91
Rot. Bonds4

About 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one

5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 126951612) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID126951612
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCC(Oc3cccc4[nH]ccc34)CC2)ccc1=O
InChIInChI=1S/C20H23N3O2/c1-22-13-15(5-6-20(22)24)14-23-11-8-16(9-12-23)25-19-4-2-3-18-17(19)7-10-21-18/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3
InChIKeyIZKDUEBKCAKRDA-UHFFFAOYSA-N
XLogP2.91
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 126951612) is 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one is Cn1cc(CN2CCC(Oc3cccc4[nH]ccc34)CC2)ccc1=O.
What is the InChIKey of 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is IZKDUEBKCAKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22-13-15(5-6-20(22)24)14-23-11-8-16(9-12-23)25-19-4-2-3-18-17(19)7-10-21-18/h2-7,10,13,16,21H,8-9,11-12,14H2,1H3.
What are the key properties of 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 126951612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).