2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide

C17H23N3O — CID 67239924

IUPAC2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
SMILESCN1CCC(Cn2cc(CC(N)=O)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O/c1-19-8-6-13(7-9-19)11-20-12-14(10-17(18)21)15-4-2-3-5-16(15)20/h2-5,12-13H,6-11H2,1H3,(H2,18,21)
InChIKeySIBVACYMKJETLH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.01
Rot. Bonds4

About 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide

2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide (PubChem CID 67239924) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
PubChem CID67239924
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
SMILESCN1CCC(Cn2cc(CC(N)=O)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O/c1-19-8-6-13(7-9-19)11-20-12-14(10-17(18)21)15-4-2-3-5-16(15)20/h2-5,12-13H,6-11H2,1H3,(H2,18,21)
InChIKeySIBVACYMKJETLH-UHFFFAOYSA-N
XLogP2.01
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide?
The IUPAC name of 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide (CID 67239924) is 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide?
The canonical SMILES for 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide is CN1CCC(Cn2cc(CC(N)=O)c3ccccc32)CC1.
What is the InChIKey of 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide?
The InChIKey is SIBVACYMKJETLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-8-6-13(7-9-19)11-20-12-14(10-17(18)21)15-4-2-3-5-16(15)20/h2-5,12-13H,6-11H2,1H3,(H2,18,21).
What are the key properties of 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide?
2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 67239924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).