1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone

C32H40Cl2N2O3 — CID 44528702

IUPAC1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1
InChIInChI=1S/C32H40Cl2N2O3/c1-24(37)31(26-10-6-3-7-11-26)14-17-35(18-15-31)19-16-32(27-12-13-28(33)29(34)22-27)23-36(20-21-39-32)30(38)25-8-4-2-5-9-25/h3,6-7,10-13,22,25H,2,4-5,8-9,14-21,23H2,1H3
InChIKeyRIFCSFHNGLZPOL-UHFFFAOYSA-N
MW571.59 g/mol
LogP6.64
Rot. Bonds7

About 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone

1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone (PubChem CID 44528702) has the molecular formula C32H40Cl2N2O3 and a molecular weight of 571.59 g/mol. Its IUPAC name is 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
PubChem CID44528702
Molecular FormulaC32H40Cl2N2O3
Molecular Weight571.59 g/mol
Exact Mass570.24
IUPAC Name1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1
InChIInChI=1S/C32H40Cl2N2O3/c1-24(37)31(26-10-6-3-7-11-26)14-17-35(18-15-31)19-16-32(27-12-13-28(33)29(34)22-27)23-36(20-21-39-32)30(38)25-8-4-2-5-9-25/h3,6-7,10-13,22,25H,2,4-5,8-9,14-21,23H2,1H3
InChIKeyRIFCSFHNGLZPOL-UHFFFAOYSA-N
XLogP6.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.59
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

Ssr 240600
CID 23649599
2-[1-[2-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 9917944
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-[3-(2-phenylmorpholin-4-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 11103819
N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 44528699
1-[2-[2-(4-Acetyl-4-phenylpiperidin-1-yl)ethyl]-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 44528700
1-[1-[2-[4-(Cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528701
Cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528703
Cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528705
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 44528710
1-[1-[2-[4-(3-Chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528723
(E)-1-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 44528726
(4-Chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528727

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone (CID 44528702) is 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone is CC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)C3CCCCC3)CCO2)CC1.
What is the InChIKey of 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is RIFCSFHNGLZPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40Cl2N2O3/c1-24(37)31(26-10-6-3-7-11-26)14-17-35(18-15-31)19-16-32(27-12-13-28(33)29(34)22-27)23-36(20-21-39-32)30(38)25-8-4-2-5-9-25/h3,6-7,10-13,22,25H,2,4-5,8-9,14-21,23H2,1H3.
What are the key properties of 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 571.59 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 44528702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).