3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one

C17H25N3O2 — CID 97061273

IUPAC3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-18(10-11-19-12-13-22-17(19)21)16-8-5-9-20(14-16)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m1/s1
InChIKeyWCHUOWLGRCPJSY-MRXNPFEDSA-N
MW303.41 g/mol
LogP2.04
Rot. Bonds5

About 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 97061273) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID97061273
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-18(10-11-19-12-13-22-17(19)21)16-8-5-9-20(14-16)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m1/s1
InChIKeyWCHUOWLGRCPJSY-MRXNPFEDSA-N
XLogP2.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
CID 96522063
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
CID 122029147
3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one
CID 95632888
(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-morpholin-4-ylpropan-2-ol
CID 124779951
2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005019
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
CID 110686871
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 117063703
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005013
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
(2S)-2-amino-N-methyl-4-methylsulfanyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889652

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one (CID 97061273) is 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one is CN(CCN1CCOC1=O)[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is WCHUOWLGRCPJSY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18(10-11-19-12-13-22-17(19)21)16-8-5-9-20(14-16)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m1/s1.
What are the key properties of 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97061273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).