(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one

C15H26N2O3 — CID 59045502

IUPAC(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1C(=O)[C@@H](C)CC1CCN(C)CC1
InChIInChI=1S/C15H26N2O3/c1-4-13-10-20-15(19)17(13)14(18)11(2)9-12-5-7-16(3)8-6-12/h11-13H,4-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyQEBBAFQCKFFFHF-AAEUAGOBSA-N
MW282.38 g/mol
LogP2.11
Rot. Bonds4

About (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 59045502) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID59045502
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1C(=O)[C@@H](C)CC1CCN(C)CC1
InChIInChI=1S/C15H26N2O3/c1-4-13-10-20-15(19)17(13)14(18)11(2)9-12-5-7-16(3)8-6-12/h11-13H,4-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyQEBBAFQCKFFFHF-AAEUAGOBSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 22982721
4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
CID 71379112
(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
CID 59079553
(4R)-4-ethyl-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 118303313
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 23594734
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2S)-2-benzyl-1-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]pentane-1,4-dione
CID 59100324
4-benzyl-3-(3-bromo-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 76787138
2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
CID 71154625
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 129094175

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one (CID 59045502) is (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1C(=O)[C@@H](C)CC1CCN(C)CC1.
What is the InChIKey of (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QEBBAFQCKFFFHF-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-13-10-20-15(19)17(13)14(18)11(2)9-12-5-7-16(3)8-6-12/h11-13H,4-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 282.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59045502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).