(2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one

C20H27N3O2 — CID 98208776

IUPAC(2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)[C@@H]1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H27N3O2/c1-15(24)23-18-10-6-5-9-17(18)19(25)20(23)22-13-11-21(12-14-22)16-7-3-2-4-8-16/h5-6,9-10,16,20H,2-4,7-8,11-14H2,1H3/t20-/m1/s1
InChIKeyXLSNDFZVAZHWRR-HXUWFJFHSA-N
MW341.45 g/mol
LogP2.51
Rot. Bonds2

About (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one

(2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one (PubChem CID 98208776) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one
PubChem CID98208776
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)[C@@H]1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H27N3O2/c1-15(24)23-18-10-6-5-9-17(18)19(25)20(23)22-13-11-21(12-14-22)16-7-3-2-4-8-16/h5-6,9-10,16,20H,2-4,7-8,11-14H2,1H3/t20-/m1/s1
InChIKeyXLSNDFZVAZHWRR-HXUWFJFHSA-N
XLogP2.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one?
The IUPAC name of (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one (CID 98208776) is (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one.
What is the SMILES notation for (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one?
The canonical SMILES for (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one is CC(=O)N1c2ccccc2C(=O)[C@@H]1N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one?
The InChIKey is XLSNDFZVAZHWRR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(24)23-18-10-6-5-9-17(18)19(25)20(23)22-13-11-21(12-14-22)16-7-3-2-4-8-16/h5-6,9-10,16,20H,2-4,7-8,11-14H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one?
(2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one has a molecular weight of 341.45 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-(4-cyclohexylpiperazin-1-yl)-2H-indol-3-one is sourced from PubChem (CID 98208776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).