4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one

C14H14ClN3O2 — CID 39352181

IUPAC4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCN1
InChIInChI=1S/C14H14ClN3O2/c15-11-2-1-10-3-5-17(12(10)7-11)9-14(20)18-6-4-16-13(19)8-18/h1-3,5,7H,4,6,8-9H2,(H,16,19)
InChIKeyGOPJEOPXKCSFCP-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.25
Rot. Bonds2

About 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one

4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one (PubChem CID 39352181) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one
PubChem CID39352181
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCN1
InChIInChI=1S/C14H14ClN3O2/c15-11-2-1-10-3-5-17(12(10)7-11)9-14(20)18-6-4-16-13(19)8-18/h1-3,5,7H,4,6,8-9H2,(H,16,19)
InChIKeyGOPJEOPXKCSFCP-UHFFFAOYSA-N
XLogP1.25
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloroindole
CID 87111
(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
6-chloro-N-(pyridin-3-yl)indoline-1-carboxamide
CID 10730997
7-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 21868720
N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide
CID 126738293
(R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 5745501
N-[2-(4-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 4782931
Indole-N-acetamide
CID 4408257
1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 10645487
N-[1-[acetyl-[(2-chlorophenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 15253734
2-(6-chloroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 70685315
N-(1-acetyl-1H-indol-3-yl)-N-(4-chlorophenyl)acetamide
CID 2289673

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one (CID 39352181) is 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCN1.
What is the InChIKey of 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one?
The InChIKey is GOPJEOPXKCSFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-2-1-10-3-5-17(12(10)7-11)9-14(20)18-6-4-16-13(19)8-18/h1-3,5,7H,4,6,8-9H2,(H,16,19).
What are the key properties of 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one?
4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one has a molecular weight of 291.74 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloroindol-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 39352181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).