2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide

C17H23N5O4 — CID 134486913

IUPAC2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide
SMILESCC(=O)N1CCCC12CN(CC(=O)NC(c1ncccn1)[C@@H](C)O)C2=O
InChIInChI=1S/C17H23N5O4/c1-11(23)14(15-18-6-4-7-19-15)20-13(25)9-21-10-17(16(21)26)5-3-8-22(17)12(2)24/h4,6-7,11,14,23H,3,5,8-10H2,1-2H3,(H,20,25)/t11-,14?,17?/m1/s1
InChIKeyIWDGMBQEPHNIND-ACCOQDJYSA-N
MW361.40 g/mol
LogP-0.76
Rot. Bonds5

About 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide

2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide (PubChem CID 134486913) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide
PubChem CID134486913
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide
SMILESCC(=O)N1CCCC12CN(CC(=O)NC(c1ncccn1)[C@@H](C)O)C2=O
InChIInChI=1S/C17H23N5O4/c1-11(23)14(15-18-6-4-7-19-15)20-13(25)9-21-10-17(16(21)26)5-3-8-22(17)12(2)24/h4,6-7,11,14,23H,3,5,8-10H2,1-2H3,(H,20,25)/t11-,14?,17?/m1/s1
InChIKeyIWDGMBQEPHNIND-ACCOQDJYSA-N
XLogP-0.76
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide?
The IUPAC name of 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide (CID 134486913) is 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide?
The canonical SMILES for 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide is CC(=O)N1CCCC12CN(CC(=O)NC(c1ncccn1)[C@@H](C)O)C2=O.
What is the InChIKey of 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide?
The InChIKey is IWDGMBQEPHNIND-ACCOQDJYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-11(23)14(15-18-6-4-7-19-15)20-13(25)9-21-10-17(16(21)26)5-3-8-22(17)12(2)24/h4,6-7,11,14,23H,3,5,8-10H2,1-2H3,(H,20,25)/t11-,14?,17?/m1/s1.
What are the key properties of 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide?
2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-[(2R)-2-hydroxy-1-pyrimidin-2-ylpropyl]acetamide is sourced from PubChem (CID 134486913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).