5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one

C23H28N4O2 — CID 126952400

IUPAC5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
SMILESCn1cc(CN2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)ncc1=O
InChIInChI=1S/C23H28N4O2/c1-25-15-18(24-13-23(25)28)16-26-10-7-19(8-11-26)29-22-4-2-3-21-20(22)9-12-27(21)14-17-5-6-17/h2-4,9,12-13,15,17,19H,5-8,10-11,14,16H2,1H3
InChIKeyAKHZIHAWGKWLPE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.19
Rot. Bonds6

About 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one

5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one (PubChem CID 126952400) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
PubChem CID126952400
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
SMILESCn1cc(CN2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)ncc1=O
InChIInChI=1S/C23H28N4O2/c1-25-15-18(24-13-23(25)28)16-26-10-7-19(8-11-26)29-22-4-2-3-21-20(22)9-12-27(21)14-17-5-6-17/h2-4,9,12-13,15,17,19H,5-8,10-11,14,16H2,1H3
InChIKeyAKHZIHAWGKWLPE-UHFFFAOYSA-N
XLogP3.19
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
CID 126952470
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
CID 126952577
2-[4-[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953482
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 126952338
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126952332
2-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126952067
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126952327
4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952593
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953472

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one?
The IUPAC name of 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one (CID 126952400) is 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one?
The canonical SMILES for 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one is Cn1cc(CN2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)ncc1=O.
What is the InChIKey of 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one?
The InChIKey is AKHZIHAWGKWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-25-15-18(24-13-23(25)28)16-26-10-7-19(8-11-26)29-22-4-2-3-21-20(22)9-12-27(21)14-17-5-6-17/h2-4,9,12-13,15,17,19H,5-8,10-11,14,16H2,1H3.
What are the key properties of 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one?
5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 126952400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).