4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one

C14H23N3O2 — CID 63608116

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C14H23N3O2/c1-9-13(18)15-6-7-17(9)14(19)12-8-10-4-2-3-5-11(10)16-12/h9-12,16H,2-8H2,1H3,(H,15,18)
InChIKeyBSZFVARDSAYGMS-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.25
Rot. Bonds1

About 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one

4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one (PubChem CID 63608116) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one
PubChem CID63608116
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C14H23N3O2/c1-9-13(18)15-6-7-17(9)14(19)12-8-10-4-2-3-5-11(10)16-12/h9-12,16H,2-8H2,1H3,(H,15,18)
InChIKeyBSZFVARDSAYGMS-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 43628220
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195404
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(piperidin-1-yl)methanone
CID 24693158
3-methyl-4-(oxane-2-carbonyl)piperazin-2-one
CID 63607255
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634534
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103703
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 43209381
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4,4-diethylpiperidin-1-yl)methanone
CID 63163516
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678313
3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
CID 63078843

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one (CID 63608116) is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)C1CC2CCCCC2N1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is BSZFVARDSAYGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-13(18)15-6-7-17(9)14(19)12-8-10-4-2-3-5-11(10)16-12/h9-12,16H,2-8H2,1H3,(H,15,18).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one?
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63608116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).