(3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one

C19H28N4O4 — CID 175504940

IUPAC(3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one
SMILESO=C1[C@H](OCCCO)CCN1[C@@H]1CCN(c2ncc(C3CC3)cn2)C[C@H]1O
InChIInChI=1S/C19H28N4O4/c24-8-1-9-27-17-5-7-23(18(17)26)15-4-6-22(12-16(15)25)19-20-10-14(11-21-19)13-2-3-13/h10-11,13,15-17,24-25H,1-9,12H2/t15-,16-,17-/m1/s1
InChIKeyGIMHFPQFTNDQEG-BRWVUGGUSA-N
MW376.46 g/mol
LogP0.29
Rot. Bonds7

About (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one

(3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one (PubChem CID 175504940) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one
PubChem CID175504940
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one
SMILESO=C1[C@H](OCCCO)CCN1[C@@H]1CCN(c2ncc(C3CC3)cn2)C[C@H]1O
InChIInChI=1S/C19H28N4O4/c24-8-1-9-27-17-5-7-23(18(17)26)15-4-6-22(12-16(15)25)19-20-10-14(11-21-19)13-2-3-13/h10-11,13,15-17,24-25H,1-9,12H2/t15-,16-,17-/m1/s1
InChIKeyGIMHFPQFTNDQEG-BRWVUGGUSA-N
XLogP0.29
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one?
The IUPAC name of (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one (CID 175504940) is (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one?
The canonical SMILES for (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one is O=C1[C@H](OCCCO)CCN1[C@@H]1CCN(c2ncc(C3CC3)cn2)C[C@H]1O.
What is the InChIKey of (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one?
The InChIKey is GIMHFPQFTNDQEG-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H28N4O4/c24-8-1-9-27-17-5-7-23(18(17)26)15-4-6-22(12-16(15)25)19-20-10-14(11-21-19)13-2-3-13/h10-11,13,15-17,24-25H,1-9,12H2/t15-,16-,17-/m1/s1.
What are the key properties of (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one?
(3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R,4R)-1-(5-cyclopropylpyrimidin-2-yl)-3-hydroxypiperidin-4-yl]-3-(3-hydroxypropoxy)pyrrolidin-2-one is sourced from PubChem (CID 175504940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).