methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate

C18H25N5O3 — CID 22745299

IUPACmethyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC1
InChIInChI=1S/C18H25N5O3/c1-26-18(25)22-11-4-13(5-12-22)21-9-6-14(7-10-21)23-15-3-2-8-19-16(15)20-17(23)24/h2-3,8,13-14H,4-7,9-12H2,1H3,(H,19,20,24)
InChIKeyROCWSXDEJAMYHE-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.59
Rot. Bonds2

About methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate

methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 22745299) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID22745299
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Namemethyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC1
InChIInChI=1S/C18H25N5O3/c1-26-18(25)22-11-4-13(5-12-22)21-9-6-14(7-10-21)23-15-3-2-8-19-16(15)20-17(23)24/h2-3,8,13-14H,4-7,9-12H2,1H3,(H,19,20,24)
InChIKeyROCWSXDEJAMYHE-UHFFFAOYSA-N
XLogP1.59
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate (CID 22745299) is methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate is COC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC1.
What is the InChIKey of methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is ROCWSXDEJAMYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-26-18(25)22-11-4-13(5-12-22)21-9-6-14(7-10-21)23-15-3-2-8-19-16(15)20-17(23)24/h2-3,8,13-14H,4-7,9-12H2,1H3,(H,19,20,24).
What are the key properties of methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 22745299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).