4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one

C12H20N2O4 — CID 126814116

IUPAC4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
SMILESCCCC1(O)CCN(C(=O)C2COC(=O)N2)CC1
InChIInChI=1S/C12H20N2O4/c1-2-3-12(17)4-6-14(7-5-12)10(15)9-8-18-11(16)13-9/h9,17H,2-8H2,1H3,(H,13,16)
InChIKeyACBXVIJRCSOKRR-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.25
Rot. Bonds3

About 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one

4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 126814116) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
PubChem CID126814116
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
SMILESCCCC1(O)CCN(C(=O)C2COC(=O)N2)CC1
InChIInChI=1S/C12H20N2O4/c1-2-3-12(17)4-6-14(7-5-12)10(15)9-8-18-11(16)13-9/h9,17H,2-8H2,1H3,(H,13,16)
InChIKeyACBXVIJRCSOKRR-UHFFFAOYSA-N
XLogP0.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 164633323
(4S)-4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 164635133
(S)-[1-Hydroxymethyl-2-(4-hydroxy-piperidin-1-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
CID 53658237
tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 57035940
methyl N-[1-(2-tert-butylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate
CID 59540412
methyl N-[1-(2-ethylpyrrolidin-1-yl)-3-hydroxy-3-methyl-1-oxobutan-2-yl]carbamate
CID 69628709
4-[[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]piperidine-1-carboxylic acid
CID 91352296
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate
CID 118070214
tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 173199529
tert-butyl N-[(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 178127023
3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
CID 50851742

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one (CID 126814116) is 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one is CCCC1(O)CCN(C(=O)C2COC(=O)N2)CC1.
What is the InChIKey of 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is ACBXVIJRCSOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-3-12(17)4-6-14(7-5-12)10(15)9-8-18-11(16)13-9/h9,17H,2-8H2,1H3,(H,13,16).
What are the key properties of 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one?
4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 256.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 126814116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).