3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one

C23H27NO2 — CID 19108487

IUPAC3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H27NO2/c25-22(20-7-9-23-21(16-20)12-15-26-23)8-6-18-10-13-24(14-11-18)17-19-4-2-1-3-5-19/h1-5,7,9,16,18H,6,8,10-15,17H2
InChIKeyIKICEKYOYFBQLB-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.50
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one

3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one (PubChem CID 19108487) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
PubChem CID19108487
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H27NO2/c25-22(20-7-9-23-21(16-20)12-15-26-23)8-6-18-10-13-24(14-11-18)17-19-4-2-1-3-5-19/h1-5,7,9,16,18H,6,8,10-15,17H2
InChIKeyIKICEKYOYFBQLB-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propan-1-one;dihydrochloride
CID 139815086
3-(1-benzylpiperidin-4-yl)-1-(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 46889354
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-methylpiperidin-4-yl)propan-1-one;dihydrochloride
CID 18620857
1-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propan-1-one;dihydrochloride
CID 18620913
1-[3-[(4-fluorophenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 18620639
1-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 19108439
1-[4-[(3-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-piperidin-4-ylpropan-1-one
CID 70026761
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one;(E)-but-2-enedioic acid
CID 19108443
1-[4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 45272120
3-(1-benzylpiperidin-4-yl)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 10292083
2-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanone;dihydrochloride
CID 70026664
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one (CID 19108487) is 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one is O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The InChIKey is IKICEKYOYFBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c25-22(20-7-9-23-21(16-20)12-15-26-23)8-6-18-10-13-24(14-11-18)17-19-4-2-1-3-5-19/h1-5,7,9,16,18H,6,8,10-15,17H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one has a molecular weight of 349.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one is sourced from PubChem (CID 19108487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).