3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one

C19H33N3O4 — CID 56748802

IUPAC3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNCC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C19H33N3O4/c23-17-19(25,15-20-9-12-22-13-14-26-18(22)24)8-4-10-21(17)11-7-16-5-2-1-3-6-16/h16,20,25H,1-15H2
InChIKeyQVOXITSZHPPUMT-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.35
Rot. Bonds8

About 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one

3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 56748802) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
PubChem CID56748802
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNCC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C19H33N3O4/c23-17-19(25,15-20-9-12-22-13-14-26-18(22)24)8-4-10-21(17)11-7-16-5-2-1-3-6-16/h16,20,25H,1-15H2
InChIKeyQVOXITSZHPPUMT-UHFFFAOYSA-N
XLogP1.35
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-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

1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56741111
2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56739031
1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-hydroxy-1-methylpiperidin-4-yl)methylamino]methyl]piperidin-2-one
CID 56738972
(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95212679
1-(2-cyclohexylethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45235783
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95205891
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 56742524
N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
CID 95217540
(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
CID 42384703
5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 56758642
5-[[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-N-methylfuran-2-carboxamide
CID 95216293
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one (CID 56748802) is 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCNCC1(O)CCCN(CCC2CCCCC2)C1=O.
What is the InChIKey of 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is QVOXITSZHPPUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c23-17-19(25,15-20-9-12-22-13-14-26-18(22)24)8-4-10-21(17)11-7-16-5-2-1-3-6-16/h16,20,25H,1-15H2.
What are the key properties of 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56748802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).