3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione — IUPAC name, SMILES, InChIKey & properties

Name: 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 167624107) has the molecular formula C96H103BrN14O11 and a molecular weight of 1708.87 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID	167624107
Molecular Formula	C96H103BrN14O11
Molecular Weight	1708.87 g/mol
Exact Mass	1706.71
IUPAC Name	3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILES	CC1(C(=O)N2CCC(c3cnn(Cc4ccc5c6c(cccc46)C(=O)N5)c3)CC2)CCC1.CC1(C(=O)N2CCC(c3cnn(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c3)CC2)CCC1.COc1ccc(CN2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)cn5)ccc2c34)cc1.O=C1CCC(Br)C(=O)N1
InChI	InChI=1S/C34H36N4O3.C31H33N5O4.C26H28N4O2.C5H6BrNO2/c1-34(15-4-16-34)33(40)36-17-13-24(14-18-36)26-19-35-37(22-26)21-25-9-12-30-31-28(25)5-3-6-29(31)32(39)38(30)20-23-7-10-27(41-2)11-8-23;1-31(12-3-13-31)30(40)34-14-10-19(11-15-34)21-16-32-35(18-21)17-20-6-7-24-27-22(20)4-2-5-23(27)29(39)36(24)25-8-9-26(37)33-28(25)38;1-26(10-3-11-26)25(32)29-12-8-17(9-13-29)19-14-27-30(16-19)15-18-6-7-22-23-20(18)4-2-5-21(23)24(31)28-22;6-3-1-2-4(8)7-5(3)9/h3,5-12,19,22,24H,4,13-18,20-21H2,1-2H3;2,4-7,16,18-19,25H,3,8-15,17H2,1H3,(H,33,37,38);2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,28,31);3H,1-2H2,(H,7,8,9)
InChIKey	MVQUCXKQFJRHDZ-UHFFFAOYSA-N
XLogP	14.63
TPSA	285.68 Å²
H-Bond Donors	3
H-Bond Acceptors	17
Rotatable Bonds	16
Heavy Atoms	122
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1708.87
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Analyze 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 167624107) is 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is CC1(C(=O)N2CCC(c3cnn(Cc4ccc5c6c(cccc46)C(=O)N5)c3)CC2)CCC1.CC1(C(=O)N2CCC(c3cnn(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c3)CC2)CCC1.COc1ccc(CN2C(=O)c3cccc4c(Cn5cc(C6CCN(C(=O)C7(C)CCC7)CC6)cn5)ccc2c34)cc1.O=C1CCC(Br)C(=O)N1.

What is the InChIKey of 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The InChIKey is MVQUCXKQFJRHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O3.C31H33N5O4.C26H28N4O2.C5H6BrNO2/c1-34(15-4-16-34)33(40)36-17-13-24(14-18-36)26-19-35-37(22-26)21-25-9-12-30-31-28(25)5-3-6-29(31)32(39)38(30)20-23-7-10-27(41-2)11-8-23;1-31(12-3-13-31)30(40)34-14-10-19(11-15-34)21-16-32-35(18-21)17-20-6-7-24-27-22(20)4-2-5-23(27)29(39)36(24)25-8-9-26(37)33-28(25)38;1-26(10-3-11-26)25(32)29-12-8-17(9-13-29)19-14-27-30(16-19)15-18-6-7-22-23-20(18)4-2-5-21(23)24(31)28-22;6-3-1-2-4(8)7-5(3)9/h3,5-12,19,22,24H,4,13-18,20-21H2,1-2H3;2,4-7,16,18-19,25H,3,8-15,17H2,1H3,(H,33,37,38);2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,28,31);3H,1-2H2,(H,7,8,9).

What are the key properties of 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

Where does this data come from?

All data for 3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167624107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).