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

C14H24N2O3 — CID 22982721

IUPAC4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C(=O)CCC1CCN(C)CC1
InChIInChI=1S/C14H24N2O3/c1-3-12-10-19-14(18)16(12)13(17)5-4-11-6-8-15(2)9-7-11/h11-12H,3-10H2,1-2H3
InChIKeyZQVXDDJHACLNFD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.87
Rot. Bonds4

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

4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 22982721) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID22982721
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C(=O)CCC1CCN(C)CC1
InChIInChI=1S/C14H24N2O3/c1-3-12-10-19-14(18)16(12)13(17)5-4-11-6-8-15(2)9-7-11/h11-12H,3-10H2,1-2H3
InChIKeyZQVXDDJHACLNFD-UHFFFAOYSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 59045502
4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
CID 71379112
(4R)-4-ethyl-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 118303313
4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
CID 19797155
S-methyl 3-(1-methylpiperidin-4-yl)propanethioate
CID 147245014
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251
4-bromo-3-propanoyl-1,3-oxazolidin-2-one
CID 91603968
1-(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 115275458
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one (CID 22982721) is 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one is CCC1COC(=O)N1C(=O)CCC1CCN(C)CC1.
What is the InChIKey of 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZQVXDDJHACLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-12-10-19-14(18)16(12)13(17)5-4-11-6-8-15(2)9-7-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one?
4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22982721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).