3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one

C14H23N3O3 — CID 63257276

IUPAC3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCC(C2CCCN2)CC1)N1CCOC1=O
InChIInChI=1S/C14H23N3O3/c18-13(17-8-9-20-14(17)19)10-16-6-3-11(4-7-16)12-2-1-5-15-12/h11-12,15H,1-10H2
InChIKeyWVSCPSCVIZGJMF-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.43
Rot. Bonds3

About 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one

3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 63257276) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one
PubChem CID63257276
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCC(C2CCCN2)CC1)N1CCOC1=O
InChIInChI=1S/C14H23N3O3/c18-13(17-8-9-20-14(17)19)10-16-6-3-11(4-7-16)12-2-1-5-15-12/h11-12,15H,1-10H2
InChIKeyWVSCPSCVIZGJMF-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one (CID 63257276) is 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one is O=C(CN1CCC(C2CCCN2)CC1)N1CCOC1=O.
What is the InChIKey of 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is WVSCPSCVIZGJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-13(17-8-9-20-14(17)19)10-16-6-3-11(4-7-16)12-2-1-5-15-12/h11-12,15H,1-10H2.
What are the key properties of 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 63257276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).