1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride

C95H138Cl11N5O11 — CID 159011886

IUPAC1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride
SMILESCC(=O)OC1CCN([C@@H]2CCCCC2OCCc2cccc3ccccc23)C1.Cl.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1COC1CCCC[C@H]1N1CCOCC1.O=C1CCN([C@@H]2CCCCC2OCCCC2CCCCC2)C1.O=C1CCN([C@@H]2CCCCC2OCc2c(Cl)cccc2Cl)C1.OC1CCN(C2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C24H31NO3.C19H33NO2.C18H25Cl2NO2.C17H23Cl2NO2.C17H21Cl2NO2.5ClH/c1-18(26)28-21-13-15-25(17-21)23-11-4-5-12-24(23)27-16-14-20-9-6-8-19-7-2-3-10-22(19)20;21-17-12-13-20(15-17)18-10-4-5-11-19(18)22-14-6-9-16-7-2-1-3-8-16;19-15-4-3-5-16(20)14(15)9-11-23-18-7-2-1-6-17(18)21-10-8-13(22)12-21;18-14-4-3-5-15(19)13(14)12-22-17-7-2-1-6-16(17)20-8-10-21-11-9-20;18-14-4-3-5-15(19)13(14)11-22-17-7-2-1-6-16(17)20-9-8-12(21)10-20;;;;;/h2-3,6-10,21,23-24H,4-5,11-17H2,1H3;16,18-19H,1-15H2;3-5,13,17-18,22H,1-2,6-12H2;3-5,16-17H,1-2,6-12H2;3-5,16-17H,1-2,6-11H2;5*1H/t21?,23-,24?;18-,19?;13?,17?,18-;2*16-,17?;;;;;/m11011...../s1
InChIKeyDKIJXDHASSWOHU-SDCBXVGLSA-N
MW1916.16 g/mol
LogP22.59
Rot. Bonds25

About 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride

1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride (PubChem CID 159011886) has the molecular formula C95H138Cl11N5O11 and a molecular weight of 1916.16 g/mol. Its IUPAC name is 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride
PubChem CID159011886
Molecular FormulaC95H138Cl11N5O11
Molecular Weight1916.16 g/mol
Exact Mass1909.70
IUPAC Name1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride
SMILESCC(=O)OC1CCN([C@@H]2CCCCC2OCCc2cccc3ccccc23)C1.Cl.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1COC1CCCC[C@H]1N1CCOCC1.O=C1CCN([C@@H]2CCCCC2OCCCC2CCCCC2)C1.O=C1CCN([C@@H]2CCCCC2OCc2c(Cl)cccc2Cl)C1.OC1CCN(C2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C24H31NO3.C19H33NO2.C18H25Cl2NO2.C17H23Cl2NO2.C17H21Cl2NO2.5ClH/c1-18(26)28-21-13-15-25(17-21)23-11-4-5-12-24(23)27-16-14-20-9-6-8-19-7-2-3-10-22(19)20;21-17-12-13-20(15-17)18-10-4-5-11-19(18)22-14-6-9-16-7-2-1-3-8-16;19-15-4-3-5-16(20)14(15)9-11-23-18-7-2-1-6-17(18)21-10-8-13(22)12-21;18-14-4-3-5-15(19)13(14)12-22-17-7-2-1-6-16(17)20-8-10-21-11-9-20;18-14-4-3-5-15(19)13(14)11-22-17-7-2-1-6-16(17)20-9-8-12(21)10-20;;;;;/h2-3,6-10,21,23-24H,4-5,11-17H2,1H3;16,18-19H,1-15H2;3-5,13,17-18,22H,1-2,6-12H2;3-5,16-17H,1-2,6-12H2;3-5,16-17H,1-2,6-11H2;5*1H/t21?,23-,24?;18-,19?;13?,17?,18-;2*16-,17?;;;;;/m11011...../s1
InChIKeyDKIJXDHASSWOHU-SDCBXVGLSA-N
XLogP22.59
TPSA152.25 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001916.16
LogP ≤ 522.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride?
The IUPAC name of 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride (CID 159011886) is 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride.
What is the SMILES notation for 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride?
The canonical SMILES for 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride is CC(=O)OC1CCN([C@@H]2CCCCC2OCCc2cccc3ccccc23)C1.Cl.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1COC1CCCC[C@H]1N1CCOCC1.O=C1CCN([C@@H]2CCCCC2OCCCC2CCCCC2)C1.O=C1CCN([C@@H]2CCCCC2OCc2c(Cl)cccc2Cl)C1.OC1CCN(C2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride?
The InChIKey is DKIJXDHASSWOHU-SDCBXVGLSA-N. The full InChI is InChI=1S/C24H31NO3.C19H33NO2.C18H25Cl2NO2.C17H23Cl2NO2.C17H21Cl2NO2.5ClH/c1-18(26)28-21-13-15-25(17-21)23-11-4-5-12-24(23)27-16-14-20-9-6-8-19-7-2-3-10-22(19)20;21-17-12-13-20(15-17)18-10-4-5-11-19(18)22-14-6-9-16-7-2-1-3-8-16;19-15-4-3-5-16(20)14(15)9-11-23-18-7-2-1-6-17(18)21-10-8-13(22)12-21;18-14-4-3-5-15(19)13(14)12-22-17-7-2-1-6-16(17)20-8-10-21-11-9-20;18-14-4-3-5-15(19)13(14)11-22-17-7-2-1-6-16(17)20-9-8-12(21)10-20;;;;;/h2-3,6-10,21,23-24H,4-5,11-17H2,1H3;16,18-19H,1-15H2;3-5,13,17-18,22H,1-2,6-12H2;3-5,16-17H,1-2,6-12H2;3-5,16-17H,1-2,6-11H2;5*1H/t21?,23-,24?;18-,19?;13?,17?,18-;2*16-,17?;;;;;/m11011...../s1.
What are the key properties of 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride?
1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride has a molecular weight of 1916.16 g/mol, XLogP of 22.59, 25 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(3-cyclohexylpropoxy)cyclohexyl]pyrrolidin-3-one;1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;pentahydrochloride is sourced from PubChem (CID 159011886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).