1-piperidin-4-ylindole-6-carboxylic acid

C14H16N2O2 — CID 59439473

IUPAC1-piperidin-4-ylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(C3CCNCC3)c2c1
InChIInChI=1S/C14H16N2O2/c17-14(18)11-2-1-10-5-8-16(13(10)9-11)12-3-6-15-7-4-12/h1-2,5,8-9,12,15H,3-4,6-7H2,(H,17,18)
InChIKeyRILBBFVTYSMZRE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.26
Rot. Bonds2

About 1-piperidin-4-ylindole-6-carboxylic acid

1-piperidin-4-ylindole-6-carboxylic acid (PubChem CID 59439473) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-piperidin-4-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-4-ylindole-6-carboxylic acid
PubChem CID59439473
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-piperidin-4-ylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(C3CCNCC3)c2c1
InChIInChI=1S/C14H16N2O2/c17-14(18)11-2-1-10-5-8-16(13(10)9-11)12-3-6-15-7-4-12/h1-2,5,8-9,12,15H,3-4,6-7H2,(H,17,18)
InChIKeyRILBBFVTYSMZRE-UHFFFAOYSA-N
XLogP2.26
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-4-ylindole-6-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-piperidin-4-ylindol-6-yl) acetate
CID 174552540
1-cyclobutylindole-5-carboxylic acid
CID 115115226
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
1-piperidin-4-yl-5-(trifluoromethyl)indole
CID 69272236
1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
CID 68560913
9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid
CID 59626416
2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 82582144
4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030660
6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride
CID 143753648
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
CID 84638551
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744774
1-cyclobutylindol-6-ol
CID 141298764

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylindole-6-carboxylic acid?
The IUPAC name of 1-piperidin-4-ylindole-6-carboxylic acid (CID 59439473) is 1-piperidin-4-ylindole-6-carboxylic acid.
What is the SMILES notation for 1-piperidin-4-ylindole-6-carboxylic acid?
The canonical SMILES for 1-piperidin-4-ylindole-6-carboxylic acid is O=C(O)c1ccc2ccn(C3CCNCC3)c2c1.
What is the InChIKey of 1-piperidin-4-ylindole-6-carboxylic acid?
The InChIKey is RILBBFVTYSMZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(18)11-2-1-10-5-8-16(13(10)9-11)12-3-6-15-7-4-12/h1-2,5,8-9,12,15H,3-4,6-7H2,(H,17,18).
What are the key properties of 1-piperidin-4-ylindole-6-carboxylic acid?
1-piperidin-4-ylindole-6-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylindole-6-carboxylic acid is sourced from PubChem (CID 59439473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).