N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide

C28H32N4O3 — CID 139372148

IUPACN-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C28H32N4O3/c33-25-17-24(23-11-5-2-6-12-23)30-21-32(25)20-28(35)15-16-31(19-27(28)13-7-8-14-27)26(34)29-18-22-9-3-1-4-10-22/h1-6,9-12,17,21,35H,7-8,13-16,18-20H2,(H,29,34)
InChIKeyXBNUPZIODIRMOG-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.82
Rot. Bonds5

About N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide

N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 139372148) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID139372148
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C28H32N4O3/c33-25-17-24(23-11-5-2-6-12-23)30-21-32(25)20-28(35)15-16-31(19-27(28)13-7-8-14-27)26(34)29-18-22-9-3-1-4-10-22/h1-6,9-12,17,21,35H,7-8,13-16,18-20H2,(H,29,34)
InChIKeyXBNUPZIODIRMOG-UHFFFAOYSA-N
XLogP3.82
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide with MolForge

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Related Compounds

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CID 134209641
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CID 134218787
US11807646, Example 320
CID 139369772
US11807646, Example 299
CID 139369776
US11807646, Example 330
CID 139369896
US11807646, Example 315
CID 139369986
US11807646, Example 210
CID 139370031
US11807646, Example 327
CID 139370274
US11807646, Example 288
CID 139370388
US11807646, Example 290
CID 139370405

Frequently Asked Questions

What is the IUPAC name of N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 139372148) is N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is O=C(NCc1ccccc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is XBNUPZIODIRMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c33-25-17-24(23-11-5-2-6-12-23)30-21-32(25)20-28(35)15-16-31(19-27(28)13-7-8-14-27)26(34)29-18-22-9-3-1-4-10-22/h1-6,9-12,17,21,35H,7-8,13-16,18-20H2,(H,29,34).
What are the key properties of N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 139372148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).