2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C19H23BrN4O2 — CID 55913568

IUPAC2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1)N1CCCC1
InChIInChI=1S/C19H23BrN4O2/c20-17-14-5-1-2-6-15(14)21-18(17)19(26)24-11-9-22(10-12-24)13-16(25)23-7-3-4-8-23/h1-2,5-6,21H,3-4,7-13H2
InChIKeyDMMIOCBOSHOENC-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.31
Rot. Bonds3

About 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 55913568) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID55913568
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1)N1CCCC1
InChIInChI=1S/C19H23BrN4O2/c20-17-14-5-1-2-6-15(14)21-18(17)19(26)24-11-9-22(10-12-24)13-16(25)23-7-3-4-8-23/h1-2,5-6,21H,3-4,7-13H2
InChIKeyDMMIOCBOSHOENC-UHFFFAOYSA-N
XLogP2.31
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
CID 51122078
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
2-[4-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 69075676
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 30741257
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969190
(3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560950
1-(azepan-1-yl)-2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethanone
CID 60602385
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312
2-[4-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 59920987
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 55913568) is 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is DMMIOCBOSHOENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c20-17-14-5-1-2-6-15(14)21-18(17)19(26)24-11-9-22(10-12-24)13-16(25)23-7-3-4-8-23/h1-2,5-6,21H,3-4,7-13H2.
What are the key properties of 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 419.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55913568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).