1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C15H16N6O2 — CID 58467982

IUPAC1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(N1CCC(n2c(=O)[nH]c3ncccc32)CC1)n1ccnc1
InChIInChI=1S/C15H16N6O2/c22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22)
InChIKeyVBWXKTTVXAQTDR-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.23
Rot. Bonds1

About 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58467982) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID58467982
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(N1CCC(n2c(=O)[nH]c3ncccc32)CC1)n1ccnc1
InChIInChI=1S/C15H16N6O2/c22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22)
InChIKeyVBWXKTTVXAQTDR-UHFFFAOYSA-N
XLogP1.23
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 58467982) is 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(N1CCC(n2c(=O)[nH]c3ncccc32)CC1)n1ccnc1.
What is the InChIKey of 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VBWXKTTVXAQTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22).
What are the key properties of 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 312.33 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58467982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).