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

C31H38Cl2N2O3 — CID 44528701

IUPAC1-[1-[2-[4-(cyclopentanecarbonyl)-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)C3CCCC3)CCO2)CC1
InChIInChI=1S/C31H38Cl2N2O3/c1-23(36)30(25-9-3-2-4-10-25)13-16-34(17-14-30)18-15-31(26-11-12-27(32)28(33)21-26)22-35(19-20-38-31)29(37)24-7-5-6-8-24/h2-4,9-12,21,24H,5-8,13-20,22H2,1H3
InChIKeyREQMUYNNDGAIKX-UHFFFAOYSA-N
MW557.56 g/mol
LogP6.25
Rot. Bonds7

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

1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone (PubChem CID 44528701) has the molecular formula C31H38Cl2N2O3 and a molecular weight of 557.56 g/mol. Its IUPAC name is 1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
PubChem CID44528701
Molecular FormulaC31H38Cl2N2O3
Molecular Weight557.56 g/mol
Exact Mass556.23
IUPAC Name1-[1-[2-[4-(cyclopentanecarbonyl)-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)C3CCCC3)CCO2)CC1
InChIInChI=1S/C31H38Cl2N2O3/c1-23(36)30(25-9-3-2-4-10-25)13-16-34(17-14-30)18-15-31(26-11-12-27(32)28(33)21-26)22-35(19-20-38-31)29(37)24-7-5-6-8-24/h2-4,9-12,21,24H,5-8,13-20,22H2,1H3
InChIKeyREQMUYNNDGAIKX-UHFFFAOYSA-N
XLogP6.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.56
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[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-(Cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528702
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
N-[2-(3,4-Dichloro-phenyl)-4-(4-ethoxy-4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44384522
1-[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]hexan-1-one
CID 44528704

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone (CID 44528701) is 1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-[4-(cyclopentanecarbonyl)-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)C3CCCC3)CCO2)CC1.
What is the InChIKey of 1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is REQMUYNNDGAIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38Cl2N2O3/c1-23(36)30(25-9-3-2-4-10-25)13-16-34(17-14-30)18-15-31(26-11-12-27(32)28(33)21-26)22-35(19-20-38-31)29(37)24-7-5-6-8-24/h2-4,9-12,21,24H,5-8,13-20,22H2,1H3.
What are the key properties of 1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
1-[1-[2-[4-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 557.56 g/mol, XLogP of 6.25, 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-(cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 44528701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).