6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one

C33H34Cl2FN3O3 — CID 68829209

IUPAC6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
SMILESO=C1COC(CCN2CCC(c3cccc(F)c3)(N3CCCC3=O)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccc1
InChIInChI=1S/C33H34Cl2FN3O3/c34-28-12-11-25(21-29(28)35)33(23-38(31(41)22-42-33)27-8-2-1-3-9-27)15-19-37-17-13-32(14-18-37,39-16-5-10-30(39)40)24-6-4-7-26(36)20-24/h1-4,6-9,11-12,20-21H,5,10,13-19,22-23H2
InChIKeyIXRCASMNKUONAQ-UHFFFAOYSA-N
MW610.56 g/mol
LogP6.39
Rot. Bonds7

About 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one

6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one (PubChem CID 68829209) has the molecular formula C33H34Cl2FN3O3 and a molecular weight of 610.56 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
PubChem CID68829209
Molecular FormulaC33H34Cl2FN3O3
Molecular Weight610.56 g/mol
Exact Mass609.20
IUPAC Name6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
SMILESO=C1COC(CCN2CCC(c3cccc(F)c3)(N3CCCC3=O)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccc1
InChIInChI=1S/C33H34Cl2FN3O3/c34-28-12-11-25(21-29(28)35)33(23-38(31(41)22-42-33)27-8-2-1-3-9-27)15-19-37-17-13-32(14-18-37,39-16-5-10-30(39)40)24-6-4-7-26(36)20-24/h1-4,6-9,11-12,20-21H,5,10,13-19,22-23H2
InChIKeyIXRCASMNKUONAQ-UHFFFAOYSA-N
XLogP6.39
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.56
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dichlorophenyl)-6-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 67012516
N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 67013731
4-benzyl-6-(3,4-dichlorophenyl)-6-[2-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]morpholin-3-one;hydrate;hydrochloride
CID 21200511
2-[2-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)-5-oxomorpholin-2-yl]acetaldehyde
CID 87593087
2-[2-[2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]benzoic acid
CID 68838198
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818
6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride
CID 70186280
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide;hydrate;hydrochloride
CID 21200580
N-[2-[(2R)-2-(3,4-difluorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 69344350
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
1-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
CID 46919619
4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986230

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one?
The IUPAC name of 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one (CID 68829209) is 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one?
The canonical SMILES for 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one is O=C1COC(CCN2CCC(c3cccc(F)c3)(N3CCCC3=O)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccc1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one?
The InChIKey is IXRCASMNKUONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2FN3O3/c34-28-12-11-25(21-29(28)35)33(23-38(31(41)22-42-33)27-8-2-1-3-9-27)15-19-37-17-13-32(14-18-37,39-16-5-10-30(39)40)24-6-4-7-26(36)20-24/h1-4,6-9,11-12,20-21H,5,10,13-19,22-23H2.
What are the key properties of 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one?
6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one has a molecular weight of 610.56 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one is sourced from PubChem (CID 68829209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).