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

C124H142N8O18 — CID 159672847

IUPACN,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
SMILESCCN(CC)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.CON(C)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.O=C(C1=Cc2cccc(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)c2OC1)N1CCOCC1.O[C@H](COc1cccc2c1OCC(CN1CCOCC1)=C2)CN1CCC(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C32H36N2O5.C32H38N2O4.C31H36N2O4.C29H32N2O5/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;35-30(21-33-12-10-26(11-13-33)28-9-8-25-4-1-2-5-27(25)19-28)23-37-31-7-3-6-29-18-24(22-38-32(29)31)20-34-14-16-36-17-15-34;1-3-33(4-2)31(35)30-19-27-28(10-7-11-29(27)37-30)36-21-26(34)20-32-16-14-23(15-17-32)25-13-12-22-8-5-6-9-24(22)18-25;1-30(34-2)29(33)28-17-25-26(8-5-9-27(25)36-28)35-19-24(32)18-31-14-12-21(13-15-31)23-11-10-20-6-3-4-7-22(20)16-23/h1-9,18-19,24,29,35H,10-17,20-22H2;1-9,18-19,26,30,35H,10-17,20-23H2;5-13,18-19,23,26,34H,3-4,14-17,20-21H2,1-2H3;3-11,16-17,21,24,32H,12-15,18-19H2,1-2H3/t29-;30-;26-;24-/m0000/s1
InChIKeyMUFFZUIPOJXTTA-PBHLYZDTSA-N
MW2032.54 g/mol
LogP19.19
Rot. Bonds32

About 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

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 (PubChem CID 159672847) has the molecular formula C124H142N8O18 and a molecular weight of 2032.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID159672847
Molecular FormulaC124H142N8O18
Molecular Weight2032.54 g/mol
Exact Mass2031.04
IUPAC NameN,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
SMILESCCN(CC)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.CON(C)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.O=C(C1=Cc2cccc(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)c2OC1)N1CCOCC1.O[C@H](COc1cccc2c1OCC(CN1CCOCC1)=C2)CN1CCC(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C32H36N2O5.C32H38N2O4.C31H36N2O4.C29H32N2O5/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;35-30(21-33-12-10-26(11-13-33)28-9-8-25-4-1-2-5-27(25)19-28)23-37-31-7-3-6-29-18-24(22-38-32(29)31)20-34-14-16-36-17-15-34;1-3-33(4-2)31(35)30-19-27-28(10-7-11-29(27)37-30)36-21-26(34)20-32-16-14-23(15-17-32)25-13-12-22-8-5-6-9-24(22)18-25;1-30(34-2)29(33)28-17-25-26(8-5-9-27(25)36-28)35-19-24(32)18-31-14-12-21(13-15-31)23-11-10-20-6-3-4-7-22(20)16-23/h1-9,18-19,24,29,35H,10-17,20-22H2;1-9,18-19,26,30,35H,10-17,20-23H2;5-13,18-19,23,26,34H,3-4,14-17,20-21H2,1-2H3;3-11,16-17,21,24,32H,12-15,18-19H2,1-2H3/t29-;30-;26-;24-/m0000/s1
InChIKeyMUFFZUIPOJXTTA-PBHLYZDTSA-N
XLogP19.19
TPSA267.40 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.54
LogP ≤ 519.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

[8-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 22729275
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
1-[[2-(1-hydroxyethyl)-1-benzofuran-4-yl]oxy]-3-(4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol
CID 22729129
3-[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-N-methoxy-N-methylprop-2-enamide
CID 139825583
(C-methylsulfanylcarbonimidoyl) 4-[(2R)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboximidate
CID 142029351
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
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide
CID 22729214
[4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 22729278
ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-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-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide
CID 157311358
(E)-3-[2-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-N-methyl-N-phenylprop-2-enamide
CID 11477925
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]methyl]-1,3-oxazolidin-4-one
CID 154500256

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.CON(C)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.O=C(C1=Cc2cccc(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)c2OC1)N1CCOCC1.O[C@H](COc1cccc2c1OCC(CN1CCOCC1)=C2)CN1CCC(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 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?
The InChIKey is MUFFZUIPOJXTTA-PBHLYZDTSA-N. The full InChI is InChI=1S/C32H36N2O5.C32H38N2O4.C31H36N2O4.C29H32N2O5/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;35-30(21-33-12-10-26(11-13-33)28-9-8-25-4-1-2-5-27(25)19-28)23-37-31-7-3-6-29-18-24(22-38-32(29)31)20-34-14-16-36-17-15-34;1-3-33(4-2)31(35)30-19-27-28(10-7-11-29(27)37-30)36-21-26(34)20-32-16-14-23(15-17-32)25-13-12-22-8-5-6-9-24(22)18-25;1-30(34-2)29(33)28-17-25-26(8-5-9-27(25)36-28)35-19-24(32)18-31-14-12-21(13-15-31)23-11-10-20-6-3-4-7-22(20)16-23/h1-9,18-19,24,29,35H,10-17,20-22H2;1-9,18-19,26,30,35H,10-17,20-23H2;5-13,18-19,23,26,34H,3-4,14-17,20-21H2,1-2H3;3-11,16-17,21,24,32H,12-15,18-19H2,1-2H3/t29-;30-;26-;24-/m0000/s1.
What are the key properties of 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?
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 has a molecular weight of 2032.54 g/mol, XLogP of 19.19, 32 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159672847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).