1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone

C34H38Cl2N2O2 — CID 10393390

IUPAC1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-12-6-3-7-13-28)18-22-37(23-19-34)20-8-16-33(29-14-15-30(35)31(36)24-29)17-9-21-38(25-33)32(40)27-10-4-2-5-11-27/h2-7,10-15,24H,8-9,16-23,25H2,1H3
InChIKeyNCJWLSWXMPGOIS-UHFFFAOYSA-N
MW577.60 g/mol
LogP7.57
Rot. Bonds8

About 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone

1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone (PubChem CID 10393390) has the molecular formula C34H38Cl2N2O2 and a molecular weight of 577.60 g/mol. Its IUPAC name is 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone
PubChem CID10393390
Molecular FormulaC34H38Cl2N2O2
Molecular Weight577.60 g/mol
Exact Mass576.23
IUPAC Name1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-12-6-3-7-13-28)18-22-37(23-19-34)20-8-16-33(29-14-15-30(35)31(36)24-29)17-9-21-38(25-33)32(40)27-10-4-2-5-11-27/h2-7,10-15,24H,8-9,16-23,25H2,1H3
InChIKeyNCJWLSWXMPGOIS-UHFFFAOYSA-N
XLogP7.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.60
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone (CID 10393390) is 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone is CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1.
What is the InChIKey of 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is NCJWLSWXMPGOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-12-6-3-7-13-28)18-22-37(23-19-34)20-8-16-33(29-14-15-30(35)31(36)24-29)17-9-21-38(25-33)32(40)27-10-4-2-5-11-27/h2-7,10-15,24H,8-9,16-23,25H2,1H3.
What are the key properties of 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone?
1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 577.60 g/mol, XLogP of 7.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 10393390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).