1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

C18H24N2O4 — CID 136560958

IUPAC1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3CCC(O)(CCN)CC3)coc2c1
InChIInChI=1S/C18H24N2O4/c1-23-14-2-3-15-13(12-24-16(15)11-14)10-17(21)20-8-5-18(22,4-7-19)6-9-20/h2-3,11-12,22H,4-10,19H2,1H3
InChIKeyOXTUCLIADVATCQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.69
Rot. Bonds5

About 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone (PubChem CID 136560958) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
PubChem CID136560958
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3CCC(O)(CCN)CC3)coc2c1
InChIInChI=1S/C18H24N2O4/c1-23-14-2-3-15-13(12-24-16(15)11-14)10-17(21)20-8-5-18(22,4-7-19)6-9-20/h2-3,11-12,22H,4-10,19H2,1H3
InChIKeyOXTUCLIADVATCQ-UHFFFAOYSA-N
XLogP1.69
TPSA88.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251257
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 38375787
(3R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687327
tert-butyl 4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 34019092
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 124611637
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 119411464
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 55474754
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone
CID 9467205
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 2664203
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 7922202

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone (CID 136560958) is 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone is COc1ccc2c(CC(=O)N3CCC(O)(CCN)CC3)coc2c1.
What is the InChIKey of 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
The InChIKey is OXTUCLIADVATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-14-2-3-15-13(12-24-16(15)11-14)10-17(21)20-8-5-18(22,4-7-19)6-9-20/h2-3,11-12,22H,4-10,19H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone?
1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone has a molecular weight of 332.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 136560958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).