1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone

C16H20N2O2 — CID 112531741

IUPAC1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
SMILESO=C(Cc1ccc2cc[nH]c2c1)N1CCC(CO)CC1
InChIInChI=1S/C16H20N2O2/c19-11-12-4-7-18(8-5-12)16(20)10-13-1-2-14-3-6-17-15(14)9-13/h1-3,6,9,12,17,19H,4-5,7-8,10-11H2
InChIKeyZOPOPTGQLDDRFL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone

1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone (PubChem CID 112531741) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
PubChem CID112531741
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
SMILESO=C(Cc1ccc2cc[nH]c2c1)N1CCC(CO)CC1
InChIInChI=1S/C16H20N2O2/c19-11-12-4-7-18(8-5-12)16(20)10-13-1-2-14-3-6-17-15(14)9-13/h1-3,6,9,12,17,19H,4-5,7-8,10-11H2
InChIKeyZOPOPTGQLDDRFL-UHFFFAOYSA-N
XLogP1.94
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone with MolForge

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530782
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 84577281
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
1-(5-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112524612
5-[2-oxo-2-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167895937
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578
1-(4-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112525009
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
CID 166204958

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone (CID 112531741) is 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone is O=C(Cc1ccc2cc[nH]c2c1)N1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone?
The InChIKey is ZOPOPTGQLDDRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-12-4-7-18(8-5-12)16(20)10-13-1-2-14-3-6-17-15(14)9-13/h1-3,6,9,12,17,19H,4-5,7-8,10-11H2.
What are the key properties of 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone?
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone is sourced from PubChem (CID 112531741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).