2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid

C21H24N2O2 — CID 174604963

IUPAC2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)C1CCCN(c2cccc3c2CCN3)C1
InChIInChI=1S/C21H24N2O2/c24-21(25)20(15-6-2-1-3-7-15)16-8-5-13-23(14-16)19-10-4-9-18-17(19)11-12-22-18/h1-4,6-7,9-10,16,20,22H,5,8,11-14H2,(H,24,25)
InChIKeyXNFGNYTVCUVXCD-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.74
Rot. Bonds4

About 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid

2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid (PubChem CID 174604963) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid
PubChem CID174604963
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)C1CCCN(c2cccc3c2CCN3)C1
InChIInChI=1S/C21H24N2O2/c24-21(25)20(15-6-2-1-3-7-15)16-8-5-13-23(14-16)19-10-4-9-18-17(19)11-12-22-18/h1-4,6-7,9-10,16,20,22H,5,8,11-14H2,(H,24,25)
InChIKeyXNFGNYTVCUVXCD-UHFFFAOYSA-N
XLogP3.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic 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

5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215404
4-(2,3-dihydro-1H-indol-4-yl)piperazine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 170159245
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
2-(2,3-dihydro-1H-indol-4-yl)propanoic acid
CID 117119033
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 81214470
tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate
CID 170625428
benzyl 4-(2,3-dihydro-1H-indol-4-yl)piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 170160254
4-(1,2,3,4-tetrahydroquinolin-5-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 81218136
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
CID 115032530
2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
CID 91550438
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid (CID 174604963) is 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid is O=C(O)C(c1ccccc1)C1CCCN(c2cccc3c2CCN3)C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid?
The InChIKey is XNFGNYTVCUVXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(25)20(15-6-2-1-3-7-15)16-8-5-13-23(14-16)19-10-4-9-18-17(19)11-12-22-18/h1-4,6-7,9-10,16,20,22H,5,8,11-14H2,(H,24,25).
What are the key properties of 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid?
2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid has a molecular weight of 336.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid is sourced from PubChem (CID 174604963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).