3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid

C15H19N3O2 — CID 136516251

IUPAC3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C15H19N3O2/c19-14(20)5-9-18-7-3-11(4-8-18)13-10-17-15-12(13)2-1-6-16-15/h1-2,6,10-11H,3-5,7-9H2,(H,16,17)(H,19,20)
InChIKeyMEPQUBBARUQHSK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.22
Rot. Bonds4

About 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid

3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid (PubChem CID 136516251) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
PubChem CID136516251
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C15H19N3O2/c19-14(20)5-9-18-7-3-11(4-8-18)13-10-17-15-12(13)2-1-6-16-15/h1-2,6,10-11H,3-5,7-9H2,(H,16,17)(H,19,20)
InChIKeyMEPQUBBARUQHSK-UHFFFAOYSA-N
XLogP2.22
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 60571114
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 71999903
N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167880702
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
N-(cyclohexylmethyl)-N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 139004139
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167964832
N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 166207328
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid (CID 136516251) is 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid?
The InChIKey is MEPQUBBARUQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(20)5-9-18-7-3-11(4-8-18)13-10-17-15-12(13)2-1-6-16-15/h1-2,6,10-11H,3-5,7-9H2,(H,16,17)(H,19,20).
What are the key properties of 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid?
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 136516251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).