1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone

C24H29NO5 — CID 18986552

IUPAC1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(c1)C(CC(=O)N1CCC(c3ccc(OC)c(OC)c3)CC1)CO2
InChIInChI=1S/C24H29NO5/c1-27-19-5-7-21-20(14-19)18(15-30-21)13-24(26)25-10-8-16(9-11-25)17-4-6-22(28-2)23(12-17)29-3/h4-7,12,14,16,18H,8-11,13,15H2,1-3H3
InChIKeyQKYSEDANVNYCPS-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone

1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone (PubChem CID 18986552) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone
PubChem CID18986552
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone
SMILESCOc1ccc2c(c1)C(CC(=O)N1CCC(c3ccc(OC)c(OC)c3)CC1)CO2
InChIInChI=1S/C24H29NO5/c1-27-19-5-7-21-20(14-19)18(15-30-21)13-24(26)25-10-8-16(9-11-25)17-4-6-22(28-2)23(12-17)29-3/h4-7,12,14,16,18H,8-11,13,15H2,1-3H3
InChIKeyQKYSEDANVNYCPS-UHFFFAOYSA-N
XLogP3.98
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone with MolForge

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Related Compounds

2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292
2-(2,4-dimethoxyphenyl)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 47018500
(3R,4S)-3-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 100961451
(3R,4R)-3-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 100961450
ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 170367856
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 110480304
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
CID 68730092
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone (CID 18986552) is 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone is COc1ccc2c(c1)C(CC(=O)N1CCC(c3ccc(OC)c(OC)c3)CC1)CO2.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone?
The InChIKey is QKYSEDANVNYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-27-19-5-7-21-20(14-19)18(15-30-21)13-24(26)25-10-8-16(9-11-25)17-4-6-22(28-2)23(12-17)29-3/h4-7,12,14,16,18H,8-11,13,15H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone?
1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone has a molecular weight of 411.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]-2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 18986552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).