1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate

C80H102N6O14 — CID 157419858

IUPAC1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1(c2ccc(OC)cc2)CCCCC1.COc1ccc(C2(C(=O)N3CCCC3C(=O)Nc3cccc4c3cnn4C)CCCCC2)cc1.COc1ccc(C2(C(=O)N3CCCC3C(=O)O)CCCCC2)cc1.COc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C27H32N4O3.C20H27NO4.C19H25NO4.C14H18O3/c1-30-23-9-6-8-22(21(23)18-28-30)29-25(32)24-10-7-17-31(24)26(33)27(15-4-3-5-16-27)19-11-13-20(34-2)14-12-19;1-24-16-10-8-15(9-11-16)20(12-4-3-5-13-20)19(23)21-14-6-7-17(21)18(22)25-2;1-24-15-9-7-14(8-10-15)19(11-3-2-4-12-19)18(23)20-13-5-6-16(20)17(21)22;1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h6,8-9,11-14,18,24H,3-5,7,10,15-17H2,1-2H3,(H,29,32);8-11,17H,3-7,12-14H2,1-2H3;7-10,16H,2-6,11-13H2,1H3,(H,21,22);5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBPGYJPMOBAEFSZ-UHFFFAOYSA-N
MW1371.72 g/mol
LogP13.43
Rot. Bonds16

About 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate

1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate (PubChem CID 157419858) has the molecular formula C80H102N6O14 and a molecular weight of 1371.72 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate
PubChem CID157419858
Molecular FormulaC80H102N6O14
Molecular Weight1371.72 g/mol
Exact Mass1370.75
IUPAC Name1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1(c2ccc(OC)cc2)CCCCC1.COc1ccc(C2(C(=O)N3CCCC3C(=O)Nc3cccc4c3cnn4C)CCCCC2)cc1.COc1ccc(C2(C(=O)N3CCCC3C(=O)O)CCCCC2)cc1.COc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C27H32N4O3.C20H27NO4.C19H25NO4.C14H18O3/c1-30-23-9-6-8-22(21(23)18-28-30)29-25(32)24-10-7-17-31(24)26(33)27(15-4-3-5-16-27)19-11-13-20(34-2)14-12-19;1-24-16-10-8-15(9-11-16)20(12-4-3-5-13-20)19(23)21-14-6-7-17(21)18(22)25-2;1-24-15-9-7-14(8-10-15)19(11-3-2-4-12-19)18(23)20-13-5-6-16(20)17(21)22;1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h6,8-9,11-14,18,24H,3-5,7,10,15-17H2,1-2H3,(H,29,32);8-11,17H,3-7,12-14H2,1-2H3;7-10,16H,2-6,11-13H2,1H3,(H,21,22);5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBPGYJPMOBAEFSZ-UHFFFAOYSA-N
XLogP13.43
TPSA245.67 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001371.72
LogP ≤ 513.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate
CID 142504116
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
(2R,4R)-4-acetamido-N-(1H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxamide
CID 142504138
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
CID 142504337
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
CID 42211902
(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 4892293
(2R)-1-(4-methoxyphenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 1296474
2-N-(2,3-dimethylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792294

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate (CID 157419858) is 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1(c2ccc(OC)cc2)CCCCC1.COc1ccc(C2(C(=O)N3CCCC3C(=O)Nc3cccc4c3cnn4C)CCCCC2)cc1.COc1ccc(C2(C(=O)N3CCCC3C(=O)O)CCCCC2)cc1.COc1ccc(C2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate?
The InChIKey is BPGYJPMOBAEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3.C20H27NO4.C19H25NO4.C14H18O3/c1-30-23-9-6-8-22(21(23)18-28-30)29-25(32)24-10-7-17-31(24)26(33)27(15-4-3-5-16-27)19-11-13-20(34-2)14-12-19;1-24-16-10-8-15(9-11-16)20(12-4-3-5-13-20)19(23)21-14-6-7-17(21)18(22)25-2;1-24-15-9-7-14(8-10-15)19(11-3-2-4-12-19)18(23)20-13-5-6-16(20)17(21)22;1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h6,8-9,11-14,18,24H,3-5,7,10,15-17H2,1-2H3,(H,29,32);8-11,17H,3-7,12-14H2,1-2H3;7-10,16H,2-6,11-13H2,1H3,(H,21,22);5-8H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate?
1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate has a molecular weight of 1371.72 g/mol, XLogP of 13.43, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 157419858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).