3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one

C18H24N4O2 — CID 71999903

IUPAC3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C18H24N4O2/c23-18-22(11-12-24-18)8-2-7-21-9-4-14(5-10-21)16-13-20-17-15(16)3-1-6-19-17/h1,3,6,13-14H,2,4-5,7-12H2,(H,19,20)
InChIKeyPQFWMAJJVFSUJT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.58
Rot. Bonds5

About 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one

3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one (PubChem CID 71999903) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one
PubChem CID71999903
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCCN1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C18H24N4O2/c23-18-22(11-12-24-18)8-2-7-21-9-4-14(5-10-21)16-13-20-17-15(16)3-1-6-19-17/h1,3,6,13-14H,2,4-5,7-12H2,(H,19,20)
InChIKeyPQFWMAJJVFSUJT-UHFFFAOYSA-N
XLogP2.58
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one (CID 71999903) is 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCCN1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The InChIKey is PQFWMAJJVFSUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18-22(11-12-24-18)8-2-7-21-9-4-14(5-10-21)16-13-20-17-15(16)3-1-6-19-17/h1,3,6,13-14H,2,4-5,7-12H2,(H,19,20).
What are the key properties of 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one?
3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71999903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).