N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide

C18H25N5O2 — CID 46244801

IUPACN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1
InChIInChI=1S/C18H25N5O2/c1-13(24)20-14-11-16-17(19-12-14)21-18(25-16)23-9-5-15(6-10-23)22-7-3-2-4-8-22/h11-12,15H,2-10H2,1H3,(H,20,24)
InChIKeyGNUNDOYXOPYINC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.64
Rot. Bonds3

About N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide

N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide (PubChem CID 46244801) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
PubChem CID46244801
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1
InChIInChI=1S/C18H25N5O2/c1-13(24)20-14-11-16-17(19-12-14)21-18(25-16)23-9-5-15(6-10-23)22-7-3-2-4-8-22/h11-12,15H,2-10H2,1H3,(H,20,24)
InChIKeyGNUNDOYXOPYINC-UHFFFAOYSA-N
XLogP2.64
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide?
The IUPAC name of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide (CID 46244801) is N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide?
The canonical SMILES for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide is CC(=O)Nc1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1.
What is the InChIKey of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide?
The InChIKey is GNUNDOYXOPYINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(24)20-14-11-16-17(19-12-14)21-18(25-16)23-9-5-15(6-10-23)22-7-3-2-4-8-22/h11-12,15H,2-10H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide?
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide is sourced from PubChem (CID 46244801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).