1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone

C22H24ClN3O2 — CID 154831413

IUPAC1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(COc3ccncc3Cl)CC2)c2ccccc21
InChIInChI=1S/C22H24ClN3O2/c1-25-14-17(18-4-2-3-5-20(18)25)12-22(27)26-10-7-16(8-11-26)15-28-21-6-9-24-13-19(21)23/h2-6,9,13-14,16H,7-8,10-12,15H2,1H3
InChIKeyAORHQDHFFTVBJZ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone

1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 154831413) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID154831413
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(COc3ccncc3Cl)CC2)c2ccccc21
InChIInChI=1S/C22H24ClN3O2/c1-25-14-17(18-4-2-3-5-20(18)25)12-22(27)26-10-7-16(8-11-26)15-28-21-6-9-24-13-19(21)23/h2-6,9,13-14,16H,7-8,10-12,15H2,1H3
InChIKeyAORHQDHFFTVBJZ-UHFFFAOYSA-N
XLogP4.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone with MolForge

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Related Compounds

2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154831225
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 91626626
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 163357321
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
CID 71701683

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone (CID 154831413) is 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone is Cn1cc(CC(=O)N2CCC(COc3ccncc3Cl)CC2)c2ccccc21.
What is the InChIKey of 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is AORHQDHFFTVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-25-14-17(18-4-2-3-5-20(18)25)12-22(27)26-10-7-16(8-11-26)15-28-21-6-9-24-13-19(21)23/h2-6,9,13-14,16H,7-8,10-12,15H2,1H3.
What are the key properties of 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 397.91 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 154831413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).