4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid

C17H20N2O4 — CID 119251873

IUPAC4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cccc2[nH]cc(CC(=O)N3CCC(O)(C(=O)O)CC3)c12
InChIInChI=1S/C17H20N2O4/c1-11-3-2-4-13-15(11)12(10-18-13)9-14(20)19-7-5-17(23,6-8-19)16(21)22/h2-4,10,18,23H,5-9H2,1H3,(H,21,22)
InChIKeyCFRBFWQBSKBEFT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.46
Rot. Bonds3

About 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 119251873) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID119251873
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCc1cccc2[nH]cc(CC(=O)N3CCC(O)(C(=O)O)CC3)c12
InChIInChI=1S/C17H20N2O4/c1-11-3-2-4-13-15(11)12(10-18-13)9-14(20)19-7-5-17(23,6-8-19)16(21)22/h2-4,10,18,23H,5-9H2,1H3,(H,21,22)
InChIKeyCFRBFWQBSKBEFT-UHFFFAOYSA-N
XLogP1.46
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methyl-1H-indol-3-yl)ethanone
CID 110853564
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761
(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124697408
3-fluoro-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529779
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
CID 166224998
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129
6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514837
4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 119250894
2-[2-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242531
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid (CID 119251873) is 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid is Cc1cccc2[nH]cc(CC(=O)N3CCC(O)(C(=O)O)CC3)c12.
What is the InChIKey of 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is CFRBFWQBSKBEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-3-2-4-13-15(11)12(10-18-13)9-14(20)19-7-5-17(23,6-8-19)16(21)22/h2-4,10,18,23H,5-9H2,1H3,(H,21,22).
What are the key properties of 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).