5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one

C34H38Cl2N2O2 — CID 15485361

IUPAC5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-11-6-3-7-12-28)18-21-37(22-19-34)20-8-16-33(29-13-14-30(35)31(36)23-29)17-15-32(40)38(25-33)24-27-9-4-2-5-10-27/h2-7,9-14,23H,8,15-22,24-25H2,1H3
InChIKeyGLFJJJVLKJNYOY-UHFFFAOYSA-N
MW577.60 g/mol
LogP7.46
Rot. Bonds9

About 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one

5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one (PubChem CID 15485361) has the molecular formula C34H38Cl2N2O2 and a molecular weight of 577.60 g/mol. Its IUPAC name is 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one
PubChem CID15485361
Molecular FormulaC34H38Cl2N2O2
Molecular Weight577.60 g/mol
Exact Mass576.23
IUPAC Name5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-11-6-3-7-12-28)18-21-37(22-19-34)20-8-16-33(29-13-14-30(35)31(36)23-29)17-15-32(40)38(25-33)24-27-9-4-2-5-10-27/h2-7,9-14,23H,8,15-22,24-25H2,1H3
InChIKeyGLFJJJVLKJNYOY-UHFFFAOYSA-N
XLogP7.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.60
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one with MolForge

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Related Compounds

Osanetant
CID 219077
Ssr 146977
CID 9938990
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]piperidin-2-one
CID 21699577
N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-(3-tritiophenyl)piperidin-4-yl]-N-methylacetamide
CID 71717901
N-[2-(3,4-Dichloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 9849962
1-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-ethanone
CID 10393390
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropanecarboxamide
CID 11273015
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl)methyl)cyclopropanecarboxamide
CID 11498183
(1R,2S)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropanecarboxamide
CID 11657014
(1S,2R)-N-benzyl-1-(3,4-dichlorophenyl)-N-methyl-2-((4-(N-methylacetamido)-4-phenylpiperidin-1-yl)methyl)cyclopropanecarboxamide
CID 11685645
N-[2-(3,4-Dichloro-phenyl)-4-(4-propyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 22405734
N-[2-(3,4-Dichloro-phenyl)-4-(4-propionyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 22405762

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one?
The IUPAC name of 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one (CID 15485361) is 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one.
What is the SMILES notation for 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one?
The canonical SMILES for 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one is CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one?
The InChIKey is GLFJJJVLKJNYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-11-6-3-7-12-28)18-21-37(22-19-34)20-8-16-33(29-13-14-30(35)31(36)23-29)17-15-32(40)38(25-33)24-27-9-4-2-5-10-27/h2-7,9-14,23H,8,15-22,24-25H2,1H3.
What are the key properties of 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one?
5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one has a molecular weight of 577.60 g/mol, XLogP of 7.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-acetyl-4-phenylpiperidin-1-yl)propyl]-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one is sourced from PubChem (CID 15485361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).