1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone

C16H22N2O4 — CID 82187050

IUPAC1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
SMILESCOc1cccc2c1OCC(N1CCN(C(C)=O)CC1)C2O
InChIInChI=1S/C16H22N2O4/c1-11(19)17-6-8-18(9-7-17)13-10-22-16-12(15(13)20)4-3-5-14(16)21-2/h3-5,13,15,20H,6-10H2,1-2H3
InChIKeyMACDWHBOLSPFFZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.65
Rot. Bonds2

About 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone

1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone (PubChem CID 82187050) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
PubChem CID82187050
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
SMILESCOc1cccc2c1OCC(N1CCN(C(C)=O)CC1)C2O
InChIInChI=1S/C16H22N2O4/c1-11(19)17-6-8-18(9-7-17)13-10-22-16-12(15(13)20)4-3-5-14(16)21-2/h3-5,13,15,20H,6-10H2,1-2H3
InChIKeyMACDWHBOLSPFFZ-UHFFFAOYSA-N
XLogP0.65
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
(3R,4S)-3-[4-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 100733600
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472
4-acetyl-N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepane-1-carboxamide
CID 95568985
3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187052
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
2-(3,4-dichlorophenyl)-N-(8-methoxy-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-yl)-N-methylacetamide
CID 22120707
7,8-dimethyl-3-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82186754
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone (CID 82187050) is 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone is COc1cccc2c1OCC(N1CCN(C(C)=O)CC1)C2O.
What is the InChIKey of 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
The InChIKey is MACDWHBOLSPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)17-6-8-18(9-7-17)13-10-22-16-12(15(13)20)4-3-5-14(16)21-2/h3-5,13,15,20H,6-10H2,1-2H3.
What are the key properties of 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone?
1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone has a molecular weight of 306.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82187050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).