1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one

C27H30BrN3O2 — CID 58968030

IUPAC1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC(=O)c1c(C)n(CCCN2CCC(N3C(=O)Cc4ccccc43)CC2)c2c(Br)cccc12
InChIInChI=1S/C27H30BrN3O2/c1-18-26(19(2)32)22-8-5-9-23(28)27(22)30(18)14-6-13-29-15-11-21(12-16-29)31-24-10-4-3-7-20(24)17-25(31)33/h3-5,7-10,21H,6,11-17H2,1-2H3
InChIKeyBZPGYHURPFOMAB-UHFFFAOYSA-N
MW508.46 g/mol
LogP5.36
Rot. Bonds6

About 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one

1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 58968030) has the molecular formula C27H30BrN3O2 and a molecular weight of 508.46 g/mol. Its IUPAC name is 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one
PubChem CID58968030
Molecular FormulaC27H30BrN3O2
Molecular Weight508.46 g/mol
Exact Mass507.15
IUPAC Name1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one
SMILESCC(=O)c1c(C)n(CCCN2CCC(N3C(=O)Cc4ccccc43)CC2)c2c(Br)cccc12
InChIInChI=1S/C27H30BrN3O2/c1-18-26(19(2)32)22-8-5-9-23(28)27(22)30(18)14-6-13-29-15-11-21(12-16-29)31-24-10-4-3-7-20(24)17-25(31)33/h3-5,7-10,21H,6,11-17H2,1-2H3
InChIKeyBZPGYHURPFOMAB-UHFFFAOYSA-N
XLogP5.36
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one with MolForge

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-3H-indol-2-one
CID 22558141
[7-bromo-2-methyl-1-(3-methylsulfinylpropyl)indol-3-yl]-(2,3-dichlorophenyl)methanone
CID 15907677
4-oxo-4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]but-2-enoic acid
CID 4088270
1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one
CID 46986092
1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one
CID 142181726
2-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]benzoic acid
CID 3701020
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone
CID 58968129
1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one
CID 143069850
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
N-[3,5-dihydroxy-9-methyl-4-[[2-[[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-8-yl]acetamide
CID 123505317

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one (CID 58968030) is 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one is CC(=O)c1c(C)n(CCCN2CCC(N3C(=O)Cc4ccccc43)CC2)c2c(Br)cccc12.
What is the InChIKey of 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one?
The InChIKey is BZPGYHURPFOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30BrN3O2/c1-18-26(19(2)32)22-8-5-9-23(28)27(22)30(18)14-6-13-29-15-11-21(12-16-29)31-24-10-4-3-7-20(24)17-25(31)33/h3-5,7-10,21H,6,11-17H2,1-2H3.
What are the key properties of 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one?
1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 508.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-acetyl-7-bromo-2-methylindol-1-yl)propyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 58968030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).