1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one

C16H18N2O3 — CID 131936356

IUPAC1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C16H18N2O3/c1-10-15(20)17(2)8-9-18(10)16(21)13-5-3-4-12-11(13)6-7-14(12)19/h3-5,10H,6-9H2,1-2H3
InChIKeySAKNFSTUUSHCPG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.12
Rot. Bonds1

About 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one

1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one (PubChem CID 131936356) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one
PubChem CID131936356
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one
SMILESCC1C(=O)N(C)CCN1C(=O)c1cccc2c1CCC2=O
InChIInChI=1S/C16H18N2O3/c1-10-15(20)17(2)8-9-18(10)16(21)13-5-3-4-12-11(13)6-7-14(12)19/h3-5,10H,6-9H2,1-2H3
InChIKeySAKNFSTUUSHCPG-UHFFFAOYSA-N
XLogP1.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
CID 95199734
N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
CID 110741190
(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
CID 124624591
(3S)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
CID 124624590
4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one
CID 157020459
4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 95198052
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390
4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131894796
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
(1S,5R)-4-(1-oxo-2,3-dihydroindene-4-carbonyl)-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 154817609
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 131902065

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one (CID 131936356) is 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one is CC1C(=O)N(C)CCN1C(=O)c1cccc2c1CCC2=O.
What is the InChIKey of 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one?
The InChIKey is SAKNFSTUUSHCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-15(20)17(2)8-9-18(10)16(21)13-5-3-4-12-11(13)6-7-14(12)19/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one?
1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 131936356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).