(4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H28N4O4 — CID 124999561

IUPAC(4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOCC(=O)N1CCC(c2cc(N3C(=O)OC[C@@H]3C(C)C)nc(C)n2)CC1
InChIInChI=1S/C19H28N4O4/c1-12(2)16-10-27-19(25)23(16)17-9-15(20-13(3)21-17)14-5-7-22(8-6-14)18(24)11-26-4/h9,12,14,16H,5-8,10-11H2,1-4H3/t16-/m1/s1
InChIKeyRPQCWRKOPAYBCY-MRXNPFEDSA-N
MW376.46 g/mol
LogP2.12
Rot. Bonds5

About (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 124999561) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID124999561
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOCC(=O)N1CCC(c2cc(N3C(=O)OC[C@@H]3C(C)C)nc(C)n2)CC1
InChIInChI=1S/C19H28N4O4/c1-12(2)16-10-27-19(25)23(16)17-9-15(20-13(3)21-17)14-5-7-22(8-6-14)18(24)11-26-4/h9,12,14,16H,5-8,10-11H2,1-4H3/t16-/m1/s1
InChIKeyRPQCWRKOPAYBCY-MRXNPFEDSA-N
XLogP2.12
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-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

2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56903888
2-{3-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56915341
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanamine
CID 70751277
4-{2-Methyl-6-[1-(2-methylpentanoyl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 70758953
Ethyl 4-[4-(6-isopropyl-2-methylpyrimidin-4-YL)piperazin-1-YL]piperidine-1-carboxylate
CID 50982922
4-{6-[1-(Ethoxyacetyl)-3-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70710125
2-Methyl-4-[1-(propoxyacetyl)-3-piperidinyl]-6-(1-pyrrolidinyl)pyrimidine
CID 70711985
4-{2-Methyl-6-[1-(propoxyacetyl)-3-piperidinyl]-4-pyrimidinyl}morpholine
CID 70726220
4-[1-(Methoxyacetyl)-3-piperidinyl]-2-methyl-6-(1-pyrrolidinyl)pyrimidine
CID 70759306
4-{6-[1-(Isopropoxyacetyl)-3-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70765224

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 124999561) is (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is COCC(=O)N1CCC(c2cc(N3C(=O)OC[C@@H]3C(C)C)nc(C)n2)CC1.
What is the InChIKey of (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RPQCWRKOPAYBCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-12(2)16-10-27-19(25)23(16)17-9-15(20-13(3)21-17)14-5-7-22(8-6-14)18(24)11-26-4/h9,12,14,16H,5-8,10-11H2,1-4H3/t16-/m1/s1.
What are the key properties of (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124999561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).