[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

C77H74ClF3N8O7 — CID 160675440

IUPAC[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCc1nc2cc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)ccc2n1-c1ccccc1.NCc1ccc2c(c1)C1(CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC1)CO2
InChIInChI=1S/C28H28N4O2.C27H25F3N2O2.C22H21ClN2O3/c1-19-30-24-16-21(8-9-25(24)32(19)22-5-3-2-4-6-22)27(33)31-13-11-28(12-14-31)18-34-26-10-7-20(17-29)15-23(26)28;28-27(29,30)22-3-1-2-21(15-22)19-5-7-20(8-6-19)25(33)32-12-10-26(11-13-32)17-34-24-9-4-18(16-31)14-23(24)26;23-16-2-4-18-15(10-16)11-20(28-18)21(26)25-7-5-22(6-8-25)13-27-19-3-1-14(12-24)9-17(19)22/h2-10,15-16H,11-14,17-18,29H2,1H3;1-9,14-15H,10-13,16-17,31H2;1-4,9-11H,5-8,12-13,24H2
InChIKeyRNLSTDNNGFGPNI-UHFFFAOYSA-N
MW1315.93 g/mol
LogP13.87
Rot. Bonds8

About [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 160675440) has the molecular formula C77H74ClF3N8O7 and a molecular weight of 1315.93 g/mol. Its IUPAC name is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID160675440
Molecular FormulaC77H74ClF3N8O7
Molecular Weight1315.93 g/mol
Exact Mass1314.53
IUPAC Name[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCc1nc2cc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)ccc2n1-c1ccccc1.NCc1ccc2c(c1)C1(CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC1)CO2
InChIInChI=1S/C28H28N4O2.C27H25F3N2O2.C22H21ClN2O3/c1-19-30-24-16-21(8-9-25(24)32(19)22-5-3-2-4-6-22)27(33)31-13-11-28(12-14-31)18-34-26-10-7-20(17-29)15-23(26)28;28-27(29,30)22-3-1-2-21(15-22)19-5-7-20(8-6-19)25(33)32-12-10-26(11-13-32)17-34-24-9-4-18(16-31)14-23(24)26;23-16-2-4-18-15(10-16)11-20(28-18)21(26)25-7-5-22(6-8-25)13-27-19-3-1-14(12-24)9-17(19)22/h2-10,15-16H,11-14,17-18,29H2,1H3;1-9,14-15H,10-13,16-17,31H2;1-4,9-11H,5-8,12-13,24H2
InChIKeyRNLSTDNNGFGPNI-UHFFFAOYSA-N
XLogP13.87
TPSA197.64 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.93
LogP ≤ 513.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone with MolForge

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Related Compounds

tert-butyl N-[2-[5-[5-chloro-3-[ethoxycarbonyl(3-methoxypropyl)amino]-1-benzofuran-2-carbonyl]-2-(methylamino)anilino]-2-oxoethyl]-N-ethylcarbamate;8-chloro-4-[2-(ethylaminomethyl)-1-methylbenzimidazol-5-yl]-1-(3-methoxypropyl)-[1]benzofuro[3,2-d]pyrimidin-2-one;ethyl N-[5-chloro-2-[2-(ethylaminomethyl)-1-methylbenzimidazole-5-carbonyl]-1-benzofuran-3-yl]-N-(3-methoxypropyl)carbamate
CID 157178202
5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 160727439
4-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-(benzimidazol-1-ylmethyl)phenyl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(4-chlorophenyl)furan-2-yl]methanone
CID 161119010

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (CID 160675440) is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is Cc1nc2cc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)ccc2n1-c1ccccc1.NCc1ccc2c(c1)C1(CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)cc3)CC1)CO2.
What is the InChIKey of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is RNLSTDNNGFGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.C27H25F3N2O2.C22H21ClN2O3/c1-19-30-24-16-21(8-9-25(24)32(19)22-5-3-2-4-6-22)27(33)31-13-11-28(12-14-31)18-34-26-10-7-20(17-29)15-23(26)28;28-27(29,30)22-3-1-2-21(15-22)19-5-7-20(8-6-19)25(33)32-12-10-26(11-13-32)17-34-24-9-4-18(16-31)14-23(24)26;23-16-2-4-18-15(10-16)11-20(28-18)21(26)25-7-5-22(6-8-25)13-27-19-3-1-14(12-24)9-17(19)22/h2-10,15-16H,11-14,17-18,29H2,1H3;1-9,14-15H,10-13,16-17,31H2;1-4,9-11H,5-8,12-13,24H2.
What are the key properties of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 1315.93 g/mol, XLogP of 13.87, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-chloro-1-benzofuran-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 160675440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).