1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde

C17H20N2O2 — CID 820162

IUPAC1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
SMILESCC1CCN(C(=O)Cn2cc(C=O)c3ccccc32)CC1
InChIInChI=1S/C17H20N2O2/c1-13-6-8-18(9-7-13)17(21)11-19-10-14(12-20)15-4-2-3-5-16(15)19/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyQEWGIAOPLZIQRC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.71
Rot. Bonds3

About 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde

1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde (PubChem CID 820162) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
PubChem CID820162
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
SMILESCC1CCN(C(=O)Cn2cc(C=O)c3ccccc32)CC1
InChIInChI=1S/C17H20N2O2/c1-13-6-8-18(9-7-13)17(21)11-19-10-14(12-20)15-4-2-3-5-16(15)19/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyQEWGIAOPLZIQRC-UHFFFAOYSA-N
XLogP2.71
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-methyl-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714377
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 951768
2-[3-(benzenesulfonyl)indol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935305
(5Z)-3-(2-chlorophenyl)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126146943
N,N-diethyl-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 20902660
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
2-(3-formylindol-1-yl)acetate
CID 3544186
(5Z)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6152675
(3E)-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374196
N-(4-fluorophenyl)-2-[(5Z)-5-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126143065
N-[(4-methylphenyl)methyl]-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563678
1-methyl-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 4979773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde (CID 820162) is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde is CC1CCN(C(=O)Cn2cc(C=O)c3ccccc32)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
The InChIKey is QEWGIAOPLZIQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-6-8-18(9-7-13)17(21)11-19-10-14(12-20)15-4-2-3-5-16(15)19/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde?
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde is sourced from PubChem (CID 820162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).