2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid

C14H17N3O2 — CID 67044059

IUPAC2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid
SMILESNc1ccc2[nH]c(C3CCCCN3C(=O)O)cc2c1
InChIInChI=1S/C14H17N3O2/c15-10-4-5-11-9(7-10)8-12(16-11)13-3-1-2-6-17(13)14(18)19/h4-5,7-8,13,16H,1-3,6,15H2,(H,18,19)
InChIKeyNVYWHPQIPAVACL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.96
Rot. Bonds1

About 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid

2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid (PubChem CID 67044059) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid
PubChem CID67044059
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid
SMILESNc1ccc2[nH]c(C3CCCCN3C(=O)O)cc2c1
InChIInChI=1S/C14H17N3O2/c15-10-4-5-11-9(7-10)8-12(16-11)13-3-1-2-6-17(13)14(18)19/h4-5,7-8,13,16H,1-3,6,15H2,(H,18,19)
InChIKeyNVYWHPQIPAVACL-UHFFFAOYSA-N
XLogP2.96
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate
CID 59129176
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 63118334
2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055616
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
2-[(2S)-azetidin-2-yl]-1H-indol-5-amine
CID 55272809
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid (CID 67044059) is 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid is Nc1ccc2[nH]c(C3CCCCN3C(=O)O)cc2c1.
What is the InChIKey of 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is NVYWHPQIPAVACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-10-4-5-11-9(7-10)8-12(16-11)13-3-1-2-6-17(13)14(18)19/h4-5,7-8,13,16H,1-3,6,15H2,(H,18,19).
What are the key properties of 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid?
2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67044059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).