3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C18H29N3O4 — CID 134797988

IUPAC3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C18H29N3O4/c1-18(2,3)16(23)21-8-4-5-14(21)15(22)19-9-6-13(7-10-19)20-11-12-25-17(20)24/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyBMLMBUYVVPFFOI-CQSZACIVSA-N
MW351.45 g/mol
LogP1.47
Rot. Bonds2

About 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134797988) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134797988
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C18H29N3O4/c1-18(2,3)16(23)21-8-4-5-14(21)15(22)19-9-6-13(7-10-19)20-11-12-25-17(20)24/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyBMLMBUYVVPFFOI-CQSZACIVSA-N
XLogP1.47
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-Morpholin-4-yl-4-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-butane-1,4-dione
CID 11348314
methyl (2R)-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 134796279
3-[1-[(2R)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134796633
3-[1-[(2R)-1-(2-methoxyacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797558
(2R)-N,N-dimethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 134798886
3-[1-[(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134798980
3-[1-[(2R)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134799018
(4S)-3-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 30921898
d-Prolyl-d-proline, N-neopentyloxycarbonyl-, butyl ester
CID 91728405
d-Prolyl-d-proline, N-neopentyloxycarbonyl-, pentyl ester
CID 91728406
d-Prolyl-d-proline, N-neopentyloxycarbonyl-, neopentyl ester
CID 91728408
Tert-butyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 21936027

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134797988) is 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is BMLMBUYVVPFFOI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-18(2,3)16(23)21-8-4-5-14(21)15(22)19-9-6-13(7-10-19)20-11-12-25-17(20)24/h13-14H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134797988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).