N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide

C16H21N3O — CID 22611622

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-11(20)18-13-3-4-16-14(9-13)15(10-17-16)12-5-7-19(2)8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyDXVFIKXMKWRGPL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds2

About N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide

N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide (PubChem CID 22611622) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide
PubChem CID22611622
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-11(20)18-13-3-4-16-14(9-13)15(10-17-16)12-5-7-19(2)8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyDXVFIKXMKWRGPL-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 N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide (CID 22611622) is N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide?
The InChIKey is DXVFIKXMKWRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(20)18-13-3-4-16-14(9-13)15(10-17-16)12-5-7-19(2)8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide?
N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide 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 N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 22611622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).