4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one

C16H19N3O2 — CID 64694144

IUPAC4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
SMILESCc1[nH]c2ccc(C(=O)N3CCN(C)C(=O)C3)cc2c1C
InChIInChI=1S/C16H19N3O2/c1-10-11(2)17-14-5-4-12(8-13(10)14)16(21)19-7-6-18(3)15(20)9-19/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyYGAHCTYCLJAJSK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.70
Rot. Bonds1

About 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one

4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one (PubChem CID 64694144) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
PubChem CID64694144
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one
SMILESCc1[nH]c2ccc(C(=O)N3CCN(C)C(=O)C3)cc2c1C
InChIInChI=1S/C16H19N3O2/c1-10-11(2)17-14-5-4-12(8-13(10)14)16(21)19-7-6-18(3)15(20)9-19/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyYGAHCTYCLJAJSK-UHFFFAOYSA-N
XLogP1.70
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
(2,3-dimethyl-1H-indol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956763
(4aS,8aS)-6-(2,3-dimethyl-1H-indole-5-carbonyl)-4-methyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110147248
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one (CID 64694144) is 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one is Cc1[nH]c2ccc(C(=O)N3CCN(C)C(=O)C3)cc2c1C.
What is the InChIKey of 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is YGAHCTYCLJAJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-11(2)17-14-5-4-12(8-13(10)14)16(21)19-7-6-18(3)15(20)9-19/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one?
4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64694144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).