1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile

C120H128Cl2N8O16 — CID 157078634

IUPAC1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
SMILESC=CC(=O)N1CCC(Oc2cc(OC)cc(-c3ccccc3)c2)CC1.C=CC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccccc3)c2)CC1.C=CC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccccc3OC)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(-c3ccc(C#N)cc3)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(-c3ccc(O)cc3)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H22ClNO3.C21H20N2O2.C21H23NO3.C20H20ClNO2.C20H21NO3.C17H22N2O3/c1-3-21(24)23-12-10-15(11-13-23)26-16-8-9-19(22)18(14-16)17-6-4-5-7-20(17)25-2;1-2-21(24)23-12-10-19(11-13-23)25-20-5-3-4-18(14-20)17-8-6-16(15-22)7-9-17;1-3-21(23)22-11-9-18(10-12-22)25-20-14-17(13-19(15-20)24-2)16-7-5-4-6-8-16;1-2-20(23)22-12-10-16(11-13-22)24-17-8-9-19(21)18(14-17)15-6-4-3-5-7-15;1-2-20(23)21-12-10-18(11-13-21)24-19-5-3-4-16(14-19)15-6-8-17(22)9-7-15;1-4-16(20)19-10-8-14(9-11-19)22-15-7-5-6-13(12-15)17(21)18(2)3/h3-9,14-15H,1,10-13H2,2H3;2-9,14,19H,1,10-13H2;3-8,13-15,18H,1,9-12H2,2H3;2-9,14,16H,1,10-13H2;2-9,14,18,22H,1,10-13H2;4-7,12,14H,1,8-11H2,2-3H3
InChIKeyADGPZEGSMYWKIH-UHFFFAOYSA-N
MW2009.29 g/mol
LogP22.39
Rot. Bonds26

About 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile

1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile (PubChem CID 157078634) has the molecular formula C120H128Cl2N8O16 and a molecular weight of 2009.29 g/mol. Its IUPAC name is 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile.

Molecular Properties

Compound Name1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
PubChem CID157078634
Molecular FormulaC120H128Cl2N8O16
Molecular Weight2009.29 g/mol
Exact Mass2006.88
IUPAC Name1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
SMILESC=CC(=O)N1CCC(Oc2cc(OC)cc(-c3ccccc3)c2)CC1.C=CC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccccc3)c2)CC1.C=CC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccccc3OC)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(-c3ccc(C#N)cc3)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(-c3ccc(O)cc3)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H22ClNO3.C21H20N2O2.C21H23NO3.C20H20ClNO2.C20H21NO3.C17H22N2O3/c1-3-21(24)23-12-10-15(11-13-23)26-16-8-9-19(22)18(14-16)17-6-4-5-7-20(17)25-2;1-2-21(24)23-12-10-19(11-13-23)25-20-5-3-4-18(14-20)17-8-6-16(15-22)7-9-17;1-3-21(23)22-11-9-18(10-12-22)25-20-14-17(13-19(15-20)24-2)16-7-5-4-6-8-16;1-2-20(23)22-12-10-16(11-13-22)24-17-8-9-19(21)18(14-17)15-6-4-3-5-7-15;1-2-20(23)21-12-10-18(11-13-21)24-19-5-3-4-16(14-19)15-6-8-17(22)9-7-15;1-4-16(20)19-10-8-14(9-11-19)22-15-7-5-6-13(12-15)17(21)18(2)3/h3-9,14-15H,1,10-13H2,2H3;2-9,14,19H,1,10-13H2;3-8,13-15,18H,1,9-12H2,2H3;2-9,14,16H,1,10-13H2;2-9,14,18,22H,1,10-13H2;4-7,12,14H,1,8-11H2,2-3H3
InChIKeyADGPZEGSMYWKIH-UHFFFAOYSA-N
XLogP22.39
TPSA260.03 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002009.29
LogP ≤ 522.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile 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

4-[2-[(E)-3-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 154968476
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
3-(2-methoxyphenyl)-5-(1-prop-2-enoylazetidin-3-yl)oxybenzonitrile
CID 147963463
1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
CID 149110974
3-[(3S,4S)-3-fluoro-1-prop-2-enoylpiperidin-4-yl]oxy-5-(2-methoxyphenyl)benzonitrile
CID 147621051
N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
CID 24733705
1-[4-[2-(4-chlorophenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587269
N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 154587112
3-[3-(3-cyanophenyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 89480712
3-[1-(3-methoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]oxybenzonitrile
CID 86892097
N-[3-[2-[(E)-3-[4-[3-(2-cyanophenyl)-4-[(E)-3-[4-[3-(2-hydroxyphenyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 170242694
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile?
The IUPAC name of 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile (CID 157078634) is 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile.
What is the SMILES notation for 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile?
The canonical SMILES for 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile is C=CC(=O)N1CCC(Oc2cc(OC)cc(-c3ccccc3)c2)CC1.C=CC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccccc3)c2)CC1.C=CC(=O)N1CCC(Oc2ccc(Cl)c(-c3ccccc3OC)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(-c3ccc(C#N)cc3)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(-c3ccc(O)cc3)c2)CC1.C=CC(=O)N1CCC(Oc2cccc(C(=O)N(C)C)c2)CC1.
What is the InChIKey of 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile?
The InChIKey is ADGPZEGSMYWKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3.C21H20N2O2.C21H23NO3.C20H20ClNO2.C20H21NO3.C17H22N2O3/c1-3-21(24)23-12-10-15(11-13-23)26-16-8-9-19(22)18(14-16)17-6-4-5-7-20(17)25-2;1-2-21(24)23-12-10-19(11-13-23)25-20-5-3-4-18(14-20)17-8-6-16(15-22)7-9-17;1-3-21(23)22-11-9-18(10-12-22)25-20-14-17(13-19(15-20)24-2)16-7-5-4-6-8-16;1-2-20(23)22-12-10-16(11-13-22)24-17-8-9-19(21)18(14-17)15-6-4-3-5-7-15;1-2-20(23)21-12-10-18(11-13-21)24-19-5-3-4-16(14-19)15-6-8-17(22)9-7-15;1-4-16(20)19-10-8-14(9-11-19)22-15-7-5-6-13(12-15)17(21)18(2)3/h3-9,14-15H,1,10-13H2,2H3;2-9,14,19H,1,10-13H2;3-8,13-15,18H,1,9-12H2,2H3;2-9,14,16H,1,10-13H2;2-9,14,18,22H,1,10-13H2;4-7,12,14H,1,8-11H2,2-3H3.
What are the key properties of 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile?
1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile has a molecular weight of 2009.29 g/mol, XLogP of 22.39, 26 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile is sourced from PubChem (CID 157078634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).