5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one

C15H21N3O — CID 79742063

IUPAC5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCc3cc(N)ccc32)CCC1=O
InChIInChI=1S/C15H21N3O/c1-18-9-12(4-7-15(18)19)17-14-6-2-10-8-11(16)3-5-13(10)14/h3,5,8,12,14,17H,2,4,6-7,9,16H2,1H3
InChIKeyAIKMSEPXJAVSMU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.47
Rot. Bonds2

About 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one

5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one (PubChem CID 79742063) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one
PubChem CID79742063
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCc3cc(N)ccc32)CCC1=O
InChIInChI=1S/C15H21N3O/c1-18-9-12(4-7-15(18)19)17-14-6-2-10-8-11(16)3-5-13(10)14/h3,5,8,12,14,17H,2,4,6-7,9,16H2,1H3
InChIKeyAIKMSEPXJAVSMU-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
CID 64654083
1-[4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]piperidin-1-yl]ethanone
CID 79730766
1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724206
5-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-1-methylpiperidin-2-one
CID 102773865
5-(4-amino-2-iodoanilino)-1-methylpiperidin-2-one
CID 66093578
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 114811154
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725122
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
CID 82690207
N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
CID 130920984
5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 64654307
4-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64654110

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one (CID 79742063) is 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one is CN1CC(NC2CCc3cc(N)ccc32)CCC1=O.
What is the InChIKey of 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is AIKMSEPXJAVSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-9-12(4-7-15(18)19)17-14-6-2-10-8-11(16)3-5-13(10)14/h3,5,8,12,14,17H,2,4,6-7,9,16H2,1H3.
What are the key properties of 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one?
5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 79742063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).