1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone

C16H21N3O — CID 163684604

IUPAC1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCNc1ccc2c(C3CCN(C(C)=O)CC3)c[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-11(20)19-7-5-12(6-8-19)15-10-18-16-9-13(17-2)3-4-14(15)16/h3-4,9-10,12,17-18H,5-8H2,1-2H3
InChIKeyJNSZMPQCTKECST-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds2

About 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone

1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone (PubChem CID 163684604) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
PubChem CID163684604
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCNc1ccc2c(C3CCN(C(C)=O)CC3)c[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-11(20)19-7-5-12(6-8-19)15-10-18-16-9-13(17-2)3-4-14(15)16/h3-4,9-10,12,17-18H,5-8H2,1-2H3
InChIKeyJNSZMPQCTKECST-UHFFFAOYSA-N
XLogP2.94
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone (CID 163684604) is 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone is CNc1ccc2c(C3CCN(C(C)=O)CC3)c[nH]c2c1.
What is the InChIKey of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is JNSZMPQCTKECST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(20)19-7-5-12(6-8-19)15-10-18-16-9-13(17-2)3-4-14(15)16/h3-4,9-10,12,17-18H,5-8H2,1-2H3.
What are the key properties of 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone?
1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 163684604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).