2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

C18H27N3O — CID 82256446

IUPAC2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCCN1CCN(C(C)C(=O)c2ccc3c(c2)CC(C)N3)CC1
InChIInChI=1S/C18H27N3O/c1-4-20-7-9-21(10-8-20)14(3)18(22)15-5-6-17-16(12-15)11-13(2)19-17/h5-6,12-14,19H,4,7-11H2,1-3H3
InChIKeyPXARBSFQCRFVEH-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (PubChem CID 82256446) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
PubChem CID82256446
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCCN1CCN(C(C)C(=O)c2ccc3c(c2)CC(C)N3)CC1
InChIInChI=1S/C18H27N3O/c1-4-20-7-9-21(10-8-20)14(3)18(22)15-5-6-17-16(12-15)11-13(2)19-17/h5-6,12-14,19H,4,7-11H2,1-3H3
InChIKeyPXARBSFQCRFVEH-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
CID 82256463
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256439
2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
CID 82256396
2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258040
2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258026
2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258024
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone
CID 82257951
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 82102458

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (CID 82256446) is 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is CCN1CCN(C(C)C(=O)c2ccc3c(c2)CC(C)N3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The InChIKey is PXARBSFQCRFVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-20-7-9-21(10-8-20)14(3)18(22)15-5-6-17-16(12-15)11-13(2)19-17/h5-6,12-14,19H,4,7-11H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 82256446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).