[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone

C32H36N2O5 — CID 22729275

IUPAC[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=Cc2cccc(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)c2OC1)N1CCOCC1
InChIInChI=1S/C32H36N2O5/c35-29(20-33-12-10-24(11-13-33)26-9-8-23-4-1-2-5-25(23)18-26)22-38-30-7-3-6-27-19-28(21-39-31(27)30)32(36)34-14-16-37-17-15-34/h1-9,18-19,24,29,35H,10-17,20-22H2
InChIKeyIARCGPZIVIFSKI-UHFFFAOYSA-N
MW528.65 g/mol
LogP4.09
Rot. Bonds7

About [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone

[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone (PubChem CID 22729275) has the molecular formula C32H36N2O5 and a molecular weight of 528.65 g/mol. Its IUPAC name is [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone
PubChem CID22729275
Molecular FormulaC32H36N2O5
Molecular Weight528.65 g/mol
Exact Mass528.26
IUPAC Name[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1=Cc2cccc(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)c2OC1)N1CCOCC1
InChIInChI=1S/C32H36N2O5/c35-29(20-33-12-10-24(11-13-33)26-9-8-23-4-1-2-5-25(23)18-26)22-38-30-7-3-6-27-19-28(21-39-31(27)30)32(36)34-14-16-37-17-15-34/h1-9,18-19,24,29,35H,10-17,20-22H2
InChIKeyIARCGPZIVIFSKI-UHFFFAOYSA-N
XLogP4.09
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.65
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxamide;[8-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N-methoxy-N-methyl-1-benzofuran-2-carboxamide;(2S)-1-[[3-(morpholin-4-ylmethyl)-2H-chromen-8-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 159672847
3-[2-[2-hydroxy-3-[4-(6-methoxynaphthalen-2-yl)piperidin-1-yl]propoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 139825630
3-[[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]methyl]-1,3-oxazolidin-4-one
CID 154500256
3-[3-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 139825531
[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 22729278
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
1-[[2-(1-hydroxyethyl)-1-benzofuran-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 22729129
3-[2-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 139825508
3-[2-[2-methoxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 139825703
3-[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-N-methoxy-N-methylprop-2-enamide
CID 139825583
[5-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 142029139
N,N-diethyl-4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxamide;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-morpholin-4-ylmethanone;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzofuran-2-carboxamide;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N-methyl-1-benzofuran-2-carboxamide
CID 158351522

Frequently Asked Questions

What is the IUPAC name of [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone (CID 22729275) is [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone is O=C(C1=Cc2cccc(OCC(O)CN3CCC(c4ccc5ccccc5c4)CC3)c2OC1)N1CCOCC1.
What is the InChIKey of [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IARCGPZIVIFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O5/c35-29(20-33-12-10-24(11-13-33)26-9-8-23-4-1-2-5-25(23)18-26)22-38-30-7-3-6-27-19-28(21-39-31(27)30)32(36)34-14-16-37-17-15-34/h1-9,18-19,24,29,35H,10-17,20-22H2.
What are the key properties of [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone?
[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone has a molecular weight of 528.65 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22729275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).