(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone

C15H21N3O — CID 110485510

IUPAC(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C15H21N3O/c1-16-7-9-18(10-8-16)15(19)13-3-4-14-12(11-13)5-6-17(14)2/h3-4,11H,5-10H2,1-2H3
InChIKeyPCFJDUCUTNPRER-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.07
Rot. Bonds1

About (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone

(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 110485510) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID110485510
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C15H21N3O/c1-16-7-9-18(10-8-16)15(19)13-3-4-14-12(11-13)5-6-17(14)2/h3-4,11H,5-10H2,1-2H3
InChIKeyPCFJDUCUTNPRER-UHFFFAOYSA-N
XLogP1.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 55163246
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
CID 4267246
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812476
N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide
CID 110812477

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 110485510) is (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PCFJDUCUTNPRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-7-9-18(10-8-16)15(19)13-3-4-14-12(11-13)5-6-17(14)2/h3-4,11H,5-10H2,1-2H3.
What are the key properties of (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone?
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110485510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).