N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide

C31H32Cl3N3O3 — CID 67013731

IUPACN-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(c3ccc(Cl)cc3)C(=O)CO2)CC1
InChIInChI=1S/C31H32Cl3N3O3/c1-22(38)35-30(23-5-3-2-4-6-23)13-16-36(17-14-30)18-15-31(24-7-12-27(33)28(34)19-24)21-37(29(39)20-40-31)26-10-8-25(32)9-11-26/h2-12,19H,13-18,20-21H2,1H3,(H,35,38)
InChIKeyVBYJPLMLXDMGQE-UHFFFAOYSA-N
MW600.97 g/mol
LogP6.42
Rot. Bonds7

About N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide

N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide (PubChem CID 67013731) has the molecular formula C31H32Cl3N3O3 and a molecular weight of 600.97 g/mol. Its IUPAC name is N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
PubChem CID67013731
Molecular FormulaC31H32Cl3N3O3
Molecular Weight600.97 g/mol
Exact Mass599.15
IUPAC NameN-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(c3ccc(Cl)cc3)C(=O)CO2)CC1
InChIInChI=1S/C31H32Cl3N3O3/c1-22(38)35-30(23-5-3-2-4-6-23)13-16-36(17-14-30)18-15-31(24-7-12-27(33)28(34)19-24)21-37(29(39)20-40-31)26-10-8-25(32)9-11-26/h2-12,19H,13-18,20-21H2,1H3,(H,35,38)
InChIKeyVBYJPLMLXDMGQE-UHFFFAOYSA-N
XLogP6.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.97
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide;hydrate;hydrochloride
CID 21200580
6-(3,4-dichlorophenyl)-6-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 67012516
6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 68829209
N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 19692485
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
N-[1-[[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]acetamide
CID 67422380
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 68771380
cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142777906
2-[2-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)-5-oxomorpholin-2-yl]acetaldehyde
CID 87593087
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 53320999
N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 18930314
[3-(4-acetamido-4-phenylpiperidin-1-yl)-1-(3,4-dichlorophenyl)propyl] 3-phenylpropanoate
CID 54080014

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide (CID 67013731) is N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(c3ccc(Cl)cc3)C(=O)CO2)CC1.
What is the InChIKey of N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is VBYJPLMLXDMGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl3N3O3/c1-22(38)35-30(23-5-3-2-4-6-23)13-16-36(17-14-30)18-15-31(24-7-12-27(33)28(34)19-24)21-37(29(39)20-40-31)26-10-8-25(32)9-11-26/h2-12,19H,13-18,20-21H2,1H3,(H,35,38).
What are the key properties of N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide?
N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 600.97 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 67013731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).