2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid

C20H19N3O3 — CID 122055616

IUPAC2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C20H19N3O3/c24-19(17-12-14(20(25)26)8-9-21-17)23-10-4-3-7-18(23)16-11-13-5-1-2-6-15(13)22-16/h1-2,5-6,8-9,11-12,18,22H,3-4,7,10H2,(H,25,26)
InChIKeyOPUBEFKGJKBWKR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.63
Rot. Bonds3

About 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid

2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122055616) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
PubChem CID122055616
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C20H19N3O3/c24-19(17-12-14(20(25)26)8-9-21-17)23-10-4-3-7-18(23)16-11-13-5-1-2-6-15(13)22-16/h1-2,5-6,8-9,11-12,18,22H,3-4,7,10H2,(H,25,26)
InChIKeyOPUBEFKGJKBWKR-UHFFFAOYSA-N
XLogP3.63
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
[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
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
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
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119776619
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid (CID 122055616) is 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is OPUBEFKGJKBWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(17-12-14(20(25)26)8-9-21-17)23-10-4-3-7-18(23)16-11-13-5-1-2-6-15(13)22-16/h1-2,5-6,8-9,11-12,18,22H,3-4,7,10H2,(H,25,26).
What are the key properties of 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid?
2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).