9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

C20H24N2O4 — CID 10450923

IUPAC9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
SMILESO=C(O)c1cccc2c3c(n(CC(=O)N4CCCC(O)C4)c12)CCCC3
InChIInChI=1S/C20H24N2O4/c23-13-5-4-10-21(11-13)18(24)12-22-17-9-2-1-6-14(17)15-7-3-8-16(19(15)22)20(25)26/h3,7-8,13,23H,1-2,4-6,9-12H2,(H,25,26)
InChIKeyLVBLELJVMLPABB-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.20
Rot. Bonds3

About 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 10450923) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
PubChem CID10450923
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
SMILESO=C(O)c1cccc2c3c(n(CC(=O)N4CCCC(O)C4)c12)CCCC3
InChIInChI=1S/C20H24N2O4/c23-13-5-4-10-21(11-13)18(24)12-22-17-9-2-1-6-14(17)15-7-3-8-16(19(15)22)20(25)26/h3,7-8,13,23H,1-2,4-6,9-12H2,(H,25,26)
InChIKeyLVBLELJVMLPABB-UHFFFAOYSA-N
XLogP2.20
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
CID 83948271
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CID 110910723
2-(6-hydroxy-2-phenyl-2-adamantyl)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 59337101
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276986
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
CID 111109085
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid (CID 10450923) is 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid is O=C(O)c1cccc2c3c(n(CC(=O)N4CCCC(O)C4)c12)CCCC3.
What is the InChIKey of 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is LVBLELJVMLPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-13-5-4-10-21(11-13)18(24)12-22-17-9-2-1-6-14(17)15-7-3-8-16(19(15)22)20(25)26/h3,7-8,13,23H,1-2,4-6,9-12H2,(H,25,26).
What are the key properties of 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 10450923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).