2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one

C45H50Cl2N2O3 — CID 174409321

IUPAC2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one
SMILESCN1C(CC(=O)c2ccccc2)CCCC1CC(C(=O)C(CC1CCCC(CC(=O)c2ccccc2)N1C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C45H50Cl2N2O3/c1-48-37(15-9-17-39(48)29-43(50)33-11-5-3-6-12-33)27-41(31-19-23-35(46)24-20-31)45(52)42(32-21-25-36(47)26-22-32)28-38-16-10-18-40(49(38)2)30-44(51)34-13-7-4-8-14-34/h3-8,11-14,19-26,37-42H,9-10,15-18,27-30H2,1-2H3
InChIKeyOAZPWWJYXOLGKX-UHFFFAOYSA-N
MW737.81 g/mol
LogP10.46
Rot. Bonds14

About 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one

2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one (PubChem CID 174409321) has the molecular formula C45H50Cl2N2O3 and a molecular weight of 737.81 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one
PubChem CID174409321
Molecular FormulaC45H50Cl2N2O3
Molecular Weight737.81 g/mol
Exact Mass736.32
IUPAC Name2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one
SMILESCN1C(CC(=O)c2ccccc2)CCCC1CC(C(=O)C(CC1CCCC(CC(=O)c2ccccc2)N1C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C45H50Cl2N2O3/c1-48-37(15-9-17-39(48)29-43(50)33-11-5-3-6-12-33)27-41(31-19-23-35(46)24-20-31)45(52)42(32-21-25-36(47)26-22-32)28-38-16-10-18-40(49(38)2)30-44(51)34-13-7-4-8-14-34/h3-8,11-14,19-26,37-42H,9-10,15-18,27-30H2,1-2H3
InChIKeyOAZPWWJYXOLGKX-UHFFFAOYSA-N
XLogP10.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.81
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride
CID 71296873
[(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] benzoate;hydrochloride
CID 46230942
[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate
CID 74412786
2-[6-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817774
2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone
CID 11393016
2-[6-[2-(2,3-dihydroxyphenyl)-2-hydroxyethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817773
1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
CID 22719915
[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] thiophene-2-carboxylate
CID 75180091
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
CID 45048917
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068211
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one?
The IUPAC name of 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one (CID 174409321) is 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one is CN1C(CC(=O)c2ccccc2)CCCC1CC(C(=O)C(CC1CCCC(CC(=O)c2ccccc2)N1C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one?
The InChIKey is OAZPWWJYXOLGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50Cl2N2O3/c1-48-37(15-9-17-39(48)29-43(50)33-11-5-3-6-12-33)27-41(31-19-23-35(46)24-20-31)45(52)42(32-21-25-36(47)26-22-32)28-38-16-10-18-40(49(38)2)30-44(51)34-13-7-4-8-14-34/h3-8,11-14,19-26,37-42H,9-10,15-18,27-30H2,1-2H3.
What are the key properties of 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one?
2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one has a molecular weight of 737.81 g/mol, XLogP of 10.46, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one is sourced from PubChem (CID 174409321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).