2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

C18H25N3O3 — CID 34839089

IUPAC2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
SMILESCC(=O)N1CCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CC1
InChIInChI=1S/C18H25N3O3/c1-11-15-13(9-18(3,4)10-14(15)23)19-16(11)17(24)21-7-5-20(6-8-21)12(2)22/h19H,5-10H2,1-4H3
InChIKeyWZRVDMOHEVOPTM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.78
Rot. Bonds1

About 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one (PubChem CID 34839089) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
PubChem CID34839089
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
SMILESCC(=O)N1CCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CC1
InChIInChI=1S/C18H25N3O3/c1-11-15-13(9-18(3,4)10-14(15)23)19-16(11)17(24)21-7-5-20(6-8-21)12(2)22/h19H,5-10H2,1-4H3
InChIKeyWZRVDMOHEVOPTM-UHFFFAOYSA-N
XLogP1.78
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one with MolForge

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 7117510
N,3-dimethyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrole-1-carboxamide
CID 153617028
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 3570670
1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117512
4-acetyl-3-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 20858607
(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one;hydrochloride
CID 15572931
Piquindone
CID 121903
4-Acetyl-3-Ethyl-N,5-Dimethyl-1h-Pyrrole-2-Carboxamide
CID 47265390
3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide
CID 167530311
N-[(2S)-1-anilino-4-cyclopropyl-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 167530312

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one (CID 34839089) is 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one is CC(=O)N1CCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CC1.
What is the InChIKey of 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one?
The InChIKey is WZRVDMOHEVOPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-15-13(9-18(3,4)10-14(15)23)19-16(11)17(24)21-7-5-20(6-8-21)12(2)22/h19H,5-10H2,1-4H3.
What are the key properties of 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one?
2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one has a molecular weight of 331.42 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazine-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 34839089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).