5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

C13H23N3O2 — CID 54885668

IUPAC5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN2CCCC(C3CCCN3)C2)O1
InChIInChI=1S/C13H23N3O2/c17-13-15-7-11(18-13)9-16-6-2-3-10(8-16)12-4-1-5-14-12/h10-12,14H,1-9H2,(H,15,17)
InChIKeyHBINDSVXOFWGIS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.56
Rot. Bonds3

About 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 54885668) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID54885668
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN2CCCC(C3CCCN3)C2)O1
InChIInChI=1S/C13H23N3O2/c17-13-15-7-11(18-13)9-16-6-2-3-10(8-16)12-4-1-5-14-12/h10-12,14H,1-9H2,(H,15,17)
InChIKeyHBINDSVXOFWGIS-UHFFFAOYSA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 124573390
ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate
CID 113330833
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434
5-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-3,3-difluorooxolan-2-one
CID 106493106
1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-[(4-iodophenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 65476831
1-[2-(oxolan-2-yl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 65162427
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43620468
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
1-[(E)-3-chloroprop-2-enyl]-3-pyrrolidin-2-ylpiperidine
CID 60979508
1-morpholin-4-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 60978297
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556

Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 54885668) is 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(CN2CCCC(C3CCCN3)C2)O1.
What is the InChIKey of 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is HBINDSVXOFWGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13-15-7-11(18-13)9-16-6-2-3-10(8-16)12-4-1-5-14-12/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54885668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).