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

C14H17N3O2 — CID 63606218

IUPAC4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H17N3O2/c1-9-13(18)16-6-7-17(9)14(19)11-2-3-12-10(8-11)4-5-15-12/h2-3,8-9,15H,4-7H2,1H3,(H,16,18)
InChIKeyQPJLPSTZMQCWGD-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.62
Rot. Bonds1

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

4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one (PubChem CID 63606218) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
PubChem CID63606218
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H17N3O2/c1-9-13(18)16-6-7-17(9)14(19)11-2-3-12-10(8-11)4-5-15-12/h2-3,8-9,15H,4-7H2,1H3,(H,16,18)
InChIKeyQPJLPSTZMQCWGD-UHFFFAOYSA-N
XLogP0.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
CID 63091999
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93469546
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 55219534
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66069532
2,3-dihydro-1H-indol-5-yl-(2,6-dimethylpiperidin-1-yl)methanone
CID 43142508
1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61157126
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one (CID 63606218) is 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is QPJLPSTZMQCWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-13(18)16-6-7-17(9)14(19)11-2-3-12-10(8-11)4-5-15-12/h2-3,8-9,15H,4-7H2,1H3,(H,16,18).
What are the key properties of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one?
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63606218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).