3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide

C23H29N5O3 — CID 143488686

IUPAC3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(O)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C23H29N5O3/c1-24-22(30)23(31)9-14-27(16-23)15-20(29)28-12-7-18(8-13-28)17-3-5-19(6-4-17)21-25-10-2-11-26-21/h2-6,10-11,18,31H,7-9,12-16H2,1H3,(H,24,30)
InChIKeyBSLVAQZORBOIFS-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.03
Rot. Bonds5

About 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide

3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 143488686) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
PubChem CID143488686
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(O)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C23H29N5O3/c1-24-22(30)23(31)9-14-27(16-23)15-20(29)28-12-7-18(8-13-28)17-3-5-19(6-4-17)21-25-10-2-11-26-21/h2-6,10-11,18,31H,7-9,12-16H2,1H3,(H,24,30)
InChIKeyBSLVAQZORBOIFS-UHFFFAOYSA-N
XLogP1.03
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 143488686) is 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide is CNC(=O)C1(O)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.
What is the InChIKey of 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is BSLVAQZORBOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-24-22(30)23(31)9-14-27(16-23)15-20(29)28-12-7-18(8-13-28)17-3-5-19(6-4-17)21-25-10-2-11-26-21/h2-6,10-11,18,31H,7-9,12-16H2,1H3,(H,24,30).
What are the key properties of 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 143488686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).