5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C16H21N5O3 — CID 136541163

IUPAC5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1
InChIInChI=1S/C16H21N5O3/c1-16(2,3)14(23)21-8-6-20(7-9-21)13(22)11-5-4-10-12(17-11)19-15(24)18-10/h4-5H,6-9H2,1-3H3,(H2,17,18,19,24)
InChIKeySGPIQOANERXGJS-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.58
Rot. Bonds1

About 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 136541163) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID136541163
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1
InChIInChI=1S/C16H21N5O3/c1-16(2,3)14(23)21-8-6-20(7-9-21)13(22)11-5-4-10-12(17-11)19-15(24)18-10/h4-5H,6-9H2,1-3H3,(H2,17,18,19,24)
InChIKeySGPIQOANERXGJS-UHFFFAOYSA-N
XLogP0.58
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 136541163) is 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1.
What is the InChIKey of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is SGPIQOANERXGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-16(2,3)14(23)21-8-6-20(7-9-21)13(22)11-5-4-10-12(17-11)19-15(24)18-10/h4-5H,6-9H2,1-3H3,(H2,17,18,19,24).
What are the key properties of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 331.38 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 136541163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).