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

C17H22N2O — CID 146409555

IUPAC1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2c[nH]c3cc(C)ccc23)CC1
InChIInChI=1S/C17H22N2O/c1-12-3-4-16-15(11-18-17(16)9-12)10-14-5-7-19(8-6-14)13(2)20/h3-4,9,11,14,18H,5-8,10H2,1-2H3
InChIKeyLSYVFIXOXVVFPM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.28
Rot. Bonds2

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

1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 146409555) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
PubChem CID146409555
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2c[nH]c3cc(C)ccc23)CC1
InChIInChI=1S/C17H22N2O/c1-12-3-4-16-15(11-18-17(16)9-12)10-14-5-7-19(8-6-14)13(2)20/h3-4,9,11,14,18H,5-8,10H2,1-2H3
InChIKeyLSYVFIXOXVVFPM-UHFFFAOYSA-N
XLogP3.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84625328
4-(1-hydroxyethyl)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 111438569
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
3-ethyl-1-[2-(6-methyl-1H-indol-3-yl)acetyl]imidazolidin-4-one
CID 119048638
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
4-methyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920739
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545
5-[(6-methyl-1H-indol-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 143089116
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone (CID 146409555) is 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2c[nH]c3cc(C)ccc23)CC1.
What is the InChIKey of 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is LSYVFIXOXVVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-3-4-16-15(11-18-17(16)9-12)10-14-5-7-19(8-6-14)13(2)20/h3-4,9,11,14,18H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 146409555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).