1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

C11H16Cl2N4O — CID 22293181

IUPAC1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2ncccc2n1C1CCNCC1
InChIInChI=1S/C11H14N4O.2ClH/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;;/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);2*1H
InChIKeyOHUCGNJZMRINKX-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.49
Rot. Bonds1

About 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride (PubChem CID 22293181) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
PubChem CID22293181
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2ncccc2n1C1CCNCC1
InChIInChI=1S/C11H14N4O.2ClH/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;;/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);2*1H
InChIKeyOHUCGNJZMRINKX-UHFFFAOYSA-N
XLogP1.49
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride (CID 22293181) is 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride is Cl.Cl.O=c1[nH]c2ncccc2n1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
The InChIKey is OHUCGNJZMRINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.2ClH/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;;/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);2*1H.
What are the key properties of 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride?
1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride is sourced from PubChem (CID 22293181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).