benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole

C68H69BrN8O6 — CID 167672439

IUPACbenzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccc(Br)cc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCN(C(=O)OCc6ccccc6)CC5)C4)cc3)cc21.O=C(OCc1ccccc1)N1CCC(OC2CNC2)CC1
InChIInChI=1S/C34H34N4O3.C18H13BrN2.C16H22N2O3/c1-36-32-13-16-35-20-31(32)30-12-9-26(19-33(30)36)25-7-10-27(11-8-25)38-21-29(22-38)41-28-14-17-37(18-15-28)34(39)40-23-24-5-3-2-4-6-24;1-21-17-8-9-20-11-16(17)15-7-4-13(10-18(15)21)12-2-5-14(19)6-3-12;19-16(20-12-13-4-2-1-3-5-13)18-8-6-14(7-9-18)21-15-10-17-11-15/h2-13,16,19-20,28-29H,14-15,17-18,21-23H2,1H3;2-11H,1H3;1-5,14-15,17H,6-12H2
InChIKeyUHYNDIQWRPZHCZ-UHFFFAOYSA-N
MW1174.25 g/mol
LogP13.33
Rot. Bonds11

About benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole

benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole (PubChem CID 167672439) has the molecular formula C68H69BrN8O6 and a molecular weight of 1174.25 g/mol. Its IUPAC name is benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole.

Molecular Properties

Compound Namebenzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole
PubChem CID167672439
Molecular FormulaC68H69BrN8O6
Molecular Weight1174.25 g/mol
Exact Mass1172.45
IUPAC Namebenzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccc(Br)cc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCN(C(=O)OCc6ccccc6)CC5)C4)cc3)cc21.O=C(OCc1ccccc1)N1CCC(OC2CNC2)CC1
InChIInChI=1S/C34H34N4O3.C18H13BrN2.C16H22N2O3/c1-36-32-13-16-35-20-31(32)30-12-9-26(19-33(30)36)25-7-10-27(11-8-25)38-21-29(22-38)41-28-14-17-37(18-15-28)34(39)40-23-24-5-3-2-4-6-24;1-21-17-8-9-20-11-16(17)15-7-4-13(10-18(15)21)12-2-5-14(19)6-3-12;19-16(20-12-13-4-2-1-3-5-13)18-8-6-14(7-9-18)21-15-10-17-11-15/h2-13,16,19-20,28-29H,14-15,17-18,21-23H2,1H3;2-11H,1H3;1-5,14-15,17H,6-12H2
InChIKeyUHYNDIQWRPZHCZ-UHFFFAOYSA-N
XLogP13.33
TPSA128.45 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001174.25
LogP ≤ 513.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole with MolForge

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Related Compounds

benzyl 4-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]azetidin-3-yl]oxypiperidine-1-carboxylate;5-methyl-7-[6-(3-piperidin-4-yloxyazetidin-1-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 167672831
benzyl 4-[(5-bromo-2-pyridinyl)oxy]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate;5-bromo-1H-pyridin-2-one;5-methyl-7-(6-piperidin-4-yloxy-3-pyridinyl)pyrido[4,3-b]indole;5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole
CID 167700455
benzyl 4-[1-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate
CID 146404562
benzyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate
CID 133397558
benzyl 4-[[(3-bromopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933764
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypiperidine-1-carboxylate
CID 167488852
benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
CID 166077458
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[4-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]ethyl]piperidin-1-yl]isoindole-1,3-dione
CID 174192551
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole?
The IUPAC name of benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole (CID 167672439) is benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole.
What is the SMILES notation for benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole?
The canonical SMILES for benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole is Cn1c2ccncc2c2ccc(-c3ccc(Br)cc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(N4CC(OC5CCN(C(=O)OCc6ccccc6)CC5)C4)cc3)cc21.O=C(OCc1ccccc1)N1CCC(OC2CNC2)CC1.
What is the InChIKey of benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole?
The InChIKey is UHYNDIQWRPZHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O3.C18H13BrN2.C16H22N2O3/c1-36-32-13-16-35-20-31(32)30-12-9-26(19-33(30)36)25-7-10-27(11-8-25)38-21-29(22-38)41-28-14-17-37(18-15-28)34(39)40-23-24-5-3-2-4-6-24;1-21-17-8-9-20-11-16(17)15-7-4-13(10-18(15)21)12-2-5-14(19)6-3-12;19-16(20-12-13-4-2-1-3-5-13)18-8-6-14(7-9-18)21-15-10-17-11-15/h2-13,16,19-20,28-29H,14-15,17-18,21-23H2,1H3;2-11H,1H3;1-5,14-15,17H,6-12H2.
What are the key properties of benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole?
benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole has a molecular weight of 1174.25 g/mol, XLogP of 13.33, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(azetidin-3-yloxy)piperidine-1-carboxylate;benzyl 4-[1-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenyl]azetidin-3-yl]oxypiperidine-1-carboxylate;7-(4-bromophenyl)-5-methylpyrido[4,3-b]indole is sourced from PubChem (CID 167672439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).