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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Related Compounds

1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 142579605
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
2-(1-phosphanylindol-3-yl)acetamide
CID 20686781
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
2-(1-trimethylsilylindol-3-yl)acetamide
CID 608675
1-(4-aminocyclohexyl)-4-[1-(cyclohexylmethyl)indol-3-yl]butan-2-one;hydrochloride
CID 162116795
2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine
CID 117118817
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
2-[1-[(1-methylpiperidin-3-yl)methyl]indazol-3-yl]acetamide
CID 67241568

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).