(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone

C16H21N3O — CID 78852296

IUPAC(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1[nH]c2c(C(=O)N3CCN(C)CC3)cccc2c1C
InChIInChI=1S/C16H21N3O/c1-11-12(2)17-15-13(11)5-4-6-14(15)16(20)19-9-7-18(3)8-10-19/h4-6,17H,7-10H2,1-3H3
InChIKeyWKQDUYMLOQTRBX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.17
Rot. Bonds1

About (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone

(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 78852296) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID78852296
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1[nH]c2c(C(=O)N3CCN(C)CC3)cccc2c1C
InChIInChI=1S/C16H21N3O/c1-11-12(2)17-15-13(11)5-4-6-14(15)16(20)19-9-7-18(3)8-10-19/h4-6,17H,7-10H2,1-3H3
InChIKeyWKQDUYMLOQTRBX-UHFFFAOYSA-N
XLogP2.17
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.17
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-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
(2,3-dimethyl-1H-indol-7-yl)-thiomorpholin-4-ylmethanone
CID 87019766
(2,3-dimethyl-1H-indol-7-yl)-[4-(3-thiophen-2-ylbutan-2-yl)piperazin-1-yl]methanone
CID 22017548
2-[4-(2,3-dimethyl-1H-indole-7-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78852290
(2,3-dimethyl-1H-indol-7-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38472860
2-[4-(2,3-dimethyl-1H-indole-7-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 78853382
[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
CID 42100234
(2,3-dimethyl-1H-indol-7-yl)-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone
CID 71909803
2,3-dimethyl-1H-indole-7-carboxylate
CID 6950947
(3R,4R)-4-cyclopropyl-1-(2,3-dimethyl-1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978142
(2,3-dimethyl-1H-indol-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31999452
(3aR,7aS)-5-(2,3-dimethyl-1H-indole-7-carbonyl)-1-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963749

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone (CID 78852296) is (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone is Cc1[nH]c2c(C(=O)N3CCN(C)CC3)cccc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WKQDUYMLOQTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-12(2)17-15-13(11)5-4-6-14(15)16(20)19-9-7-18(3)8-10-19/h4-6,17H,7-10H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone?
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 78852296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).