[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate

C34H38Cl2N2O4 — CID 67740698

IUPAC[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCOC2CCCN(C(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O4/c1-2-32(39)42-34(28-10-4-3-5-11-28)15-18-37(19-16-34)20-21-41-29-12-7-17-38(24-29)33(40)27-9-6-8-25(22-27)26-13-14-30(35)31(36)23-26/h3-6,8-11,13-14,22-23,29H,2,7,12,15-21,24H2,1H3
InChIKeyBUGYHRHIWFBNRX-UHFFFAOYSA-N
MW609.59 g/mol
LogP7.23
Rot. Bonds9

About [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate

[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate (PubChem CID 67740698) has the molecular formula C34H38Cl2N2O4 and a molecular weight of 609.59 g/mol. Its IUPAC name is [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate.

Molecular Properties

Compound Name[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate
PubChem CID67740698
Molecular FormulaC34H38Cl2N2O4
Molecular Weight609.59 g/mol
Exact Mass608.22
IUPAC Name[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCOC2CCCN(C(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)C2)CC1
InChIInChI=1S/C34H38Cl2N2O4/c1-2-32(39)42-34(28-10-4-3-5-11-28)15-18-37(19-16-34)20-21-41-29-12-7-17-38(24-29)33(40)27-9-6-8-25(22-27)26-13-14-30(35)31(36)23-26/h3-6,8-11,13-14,22-23,29H,2,7,12,15-21,24H2,1H3
InChIKeyBUGYHRHIWFBNRX-UHFFFAOYSA-N
XLogP7.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.59
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
The IUPAC name of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate (CID 67740698) is [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate.
What is the SMILES notation for [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
The canonical SMILES for [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(CCOC2CCCN(C(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)C2)CC1.
What is the InChIKey of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
The InChIKey is BUGYHRHIWFBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N2O4/c1-2-32(39)42-34(28-10-4-3-5-11-28)15-18-37(19-16-34)20-21-41-29-12-7-17-38(24-29)33(40)27-9-6-8-25(22-27)26-13-14-30(35)31(36)23-26/h3-6,8-11,13-14,22-23,29H,2,7,12,15-21,24H2,1H3.
What are the key properties of [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate?
[1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate has a molecular weight of 609.59 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1-[3-(3,4-dichlorophenyl)benzoyl]piperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl] propanoate is sourced from PubChem (CID 67740698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).