5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one

C16H23N3O — CID 96669267

IUPAC5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CCN3CCC(N)CC3)ccc21
InChIInChI=1S/C16H23N3O/c1-18-15-3-2-12(10-13(15)11-16(18)20)4-7-19-8-5-14(17)6-9-19/h2-3,10,14H,4-9,11,17H2,1H3
InChIKeySVWJZCVTEGWDGP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.17
Rot. Bonds3

About 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one

5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one (PubChem CID 96669267) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one
PubChem CID96669267
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(CCN3CCC(N)CC3)ccc21
InChIInChI=1S/C16H23N3O/c1-18-15-3-2-12(10-13(15)11-16(18)20)4-7-19-8-5-14(17)6-9-19/h2-3,10,14H,4-9,11,17H2,1H3
InChIKeySVWJZCVTEGWDGP-UHFFFAOYSA-N
XLogP1.17
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-amine
CID 82483751
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one
CID 115228405
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
1-methyl-5-[2-(2-sulfanylethylamino)ethyl]-3H-indol-2-one
CID 115224218
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 95468648

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one (CID 96669267) is 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(CCN3CCC(N)CC3)ccc21.
What is the InChIKey of 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one?
The InChIKey is SVWJZCVTEGWDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-15-3-2-12(10-13(15)11-16(18)20)4-7-19-8-5-14(17)6-9-19/h2-3,10,14H,4-9,11,17H2,1H3.
What are the key properties of 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one?
5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-aminopiperidin-1-yl)ethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 96669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).