3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid

C20H27N3O3 — CID 10894510

IUPAC3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1cn(CCC2CCNCC2)c2ccccc12
InChIInChI=1S/C20H27N3O3/c24-19(22-11-7-20(25)26)13-16-14-23(18-4-2-1-3-17(16)18)12-8-15-5-9-21-10-6-15/h1-4,14-15,21H,5-13H2,(H,22,24)(H,25,26)
InChIKeyYHBUNYQIHYIGPT-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.16
Rot. Bonds8

About 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid

3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid (PubChem CID 10894510) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid
PubChem CID10894510
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cc1cn(CCC2CCNCC2)c2ccccc12
InChIInChI=1S/C20H27N3O3/c24-19(22-11-7-20(25)26)13-16-14-23(18-4-2-1-3-17(16)18)12-8-15-5-9-21-10-6-15/h1-4,14-15,21H,5-13H2,(H,22,24)(H,25,26)
InChIKeyYHBUNYQIHYIGPT-UHFFFAOYSA-N
XLogP2.16
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic 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

3-[[2-[1-(3-piperidin-4-ylpropyl)indol-3-yl]acetyl]amino]propanoic acid
CID 11058629
3-[3-[1-(3-piperidin-1-ium-4-ylpropyl)indol-3-yl]propanoylamino]propanoic acid chloride
CID 11091119
2-(2-hydroxyphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 80740941
1-[1-(cyclohexylmethyl)indol-3-yl]-6-piperidin-4-ylhexan-3-one;hydrochloride
CID 162111790
2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 54943798
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
4-methyl-1-(2-piperidin-4-ylethyl)indole
CID 61348096

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid (CID 10894510) is 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cc1cn(CCC2CCNCC2)c2ccccc12.
What is the InChIKey of 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid?
The InChIKey is YHBUNYQIHYIGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(22-11-7-20(25)26)13-16-14-23(18-4-2-1-3-17(16)18)12-8-15-5-9-21-10-6-15/h1-4,14-15,21H,5-13H2,(H,22,24)(H,25,26).
What are the key properties of 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid?
3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid has a molecular weight of 357.45 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(2-piperidin-4-ylethyl)indol-3-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 10894510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).