1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane

C41H50N2O3 — CID 143530212

IUPAC1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane
SMILESCC.O=C(CCC(c1ccccc1)N1CCOCC1)c1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C39H44N2O3.C2H6/c42-38(21-20-37(33-16-8-3-9-17-33)41-26-28-43-29-27-41)35-18-10-11-19-39(35)44-34-22-24-40(25-23-34)30-36(31-12-4-1-5-13-31)32-14-6-2-7-15-32;1-2/h1-19,34,36-37H,20-30H2;1-2H3
InChIKeyRFIQLLMNRIVUDS-UHFFFAOYSA-N
MW618.86 g/mol
LogP8.42
Rot. Bonds12

About 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane

1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane (PubChem CID 143530212) has the molecular formula C41H50N2O3 and a molecular weight of 618.86 g/mol. Its IUPAC name is 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane.

Molecular Properties

Compound Name1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane
PubChem CID143530212
Molecular FormulaC41H50N2O3
Molecular Weight618.86 g/mol
Exact Mass618.38
IUPAC Name1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane
SMILESCC.O=C(CCC(c1ccccc1)N1CCOCC1)c1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C39H44N2O3.C2H6/c42-38(21-20-37(33-16-8-3-9-17-33)41-26-28-43-29-27-41)35-18-10-11-19-39(35)44-34-22-24-40(25-23-34)30-36(31-12-4-1-5-13-31)32-14-6-2-7-15-32;1-2/h1-19,34,36-37H,20-30H2;1-2H3
InChIKeyRFIQLLMNRIVUDS-UHFFFAOYSA-N
XLogP8.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.86
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane with MolForge

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Related Compounds

5-morpholin-4-yl-5-phenylpentan-2-one
CID 67114614
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
4-(dimethylamino)-1-[3-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-(4-fluorophenyl)butan-1-one
CID 58356744
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949540
2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949534
N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46482976
2-cyclobutyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111427408
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 112503598

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane?
The IUPAC name of 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane (CID 143530212) is 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane.
What is the SMILES notation for 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane?
The canonical SMILES for 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane is CC.O=C(CCC(c1ccccc1)N1CCOCC1)c1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane?
The InChIKey is RFIQLLMNRIVUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N2O3.C2H6/c42-38(21-20-37(33-16-8-3-9-17-33)41-26-28-43-29-27-41)35-18-10-11-19-39(35)44-34-22-24-40(25-23-34)30-36(31-12-4-1-5-13-31)32-14-6-2-7-15-32;1-2/h1-19,34,36-37H,20-30H2;1-2H3.
What are the key properties of 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane?
1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane has a molecular weight of 618.86 g/mol, XLogP of 8.42, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]-4-morpholin-4-yl-4-phenylbutan-1-one;ethane is sourced from PubChem (CID 143530212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).