N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide

C16H23N3O4 — CID 56659534

IUPACN-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide
SMILESC[C@@H]1NC2(C(=O)N(CC(=O)NO)C1=O)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H23N3O4/c1-8-14(21)19(7-13(20)18-23)15(22)16(17-8)11-3-9-2-10(5-11)6-12(16)4-9/h8-12,17,23H,2-7H2,1H3,(H,18,20)/t8-,9?,10?,11?,12?,16?/m0/s1
InChIKeyHHQOIKOPYCYVTL-RJWNGJPQSA-N
MW321.38 g/mol
LogP0.03
Rot. Bonds2

About N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide

N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide (PubChem CID 56659534) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide
PubChem CID56659534
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide
SMILESC[C@@H]1NC2(C(=O)N(CC(=O)NO)C1=O)C1CC3CC(C1)CC2C3
InChIInChI=1S/C16H23N3O4/c1-8-14(21)19(7-13(20)18-23)15(22)16(17-8)11-3-9-2-10(5-11)6-12(16)4-9/h8-12,17,23H,2-7H2,1H3,(H,18,20)/t8-,9?,10?,11?,12?,16?/m0/s1
InChIKeyHHQOIKOPYCYVTL-RJWNGJPQSA-N
XLogP0.03
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide?
The IUPAC name of N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide (CID 56659534) is N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide is C[C@@H]1NC2(C(=O)N(CC(=O)NO)C1=O)C1CC3CC(C1)CC2C3.
What is the InChIKey of N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide?
The InChIKey is HHQOIKOPYCYVTL-RJWNGJPQSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-8-14(21)19(7-13(20)18-23)15(22)16(17-8)11-3-9-2-10(5-11)6-12(16)4-9/h8-12,17,23H,2-7H2,1H3,(H,18,20)/t8-,9?,10?,11?,12?,16?/m0/s1.
What are the key properties of N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide?
N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(5'S)-5'-methyl-2',6'-dioxospiro[adamantane-2,3'-piperazine]-1'-yl]acetamide is sourced from PubChem (CID 56659534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).