N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide

C14H25N3O5 — CID 125417765

IUPACN-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CO[C@@H](CN2CCN(C(C)=O)CC2)[C@@H]1O
InChIInChI=1S/C14H25N3O5/c1-10(18)17-5-3-16(4-6-17)7-12-14(20)11(8-22-12)15-13(19)9-21-2/h11-12,14,20H,3-9H2,1-2H3,(H,15,19)/t11-,12-,14+/m0/s1
InChIKeySZYWJTUTNHNMDT-SGMGOOAPSA-N
MW315.37 g/mol
LogP-1.96
Rot. Bonds5

About N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide

N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide (PubChem CID 125417765) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide
PubChem CID125417765
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC NameN-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CO[C@@H](CN2CCN(C(C)=O)CC2)[C@@H]1O
InChIInChI=1S/C14H25N3O5/c1-10(18)17-5-3-16(4-6-17)7-12-14(20)11(8-22-12)15-13(19)9-21-2/h11-12,14,20H,3-9H2,1-2H3,(H,15,19)/t11-,12-,14+/m0/s1
InChIKeySZYWJTUTNHNMDT-SGMGOOAPSA-N
XLogP-1.96
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide (CID 125417765) is N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide is COCC(=O)N[C@H]1CO[C@@H](CN2CCN(C(C)=O)CC2)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide?
The InChIKey is SZYWJTUTNHNMDT-SGMGOOAPSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-10(18)17-5-3-16(4-6-17)7-12-14(20)11(8-22-12)15-13(19)9-21-2/h11-12,14,20H,3-9H2,1-2H3,(H,15,19)/t11-,12-,14+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide?
N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide has a molecular weight of 315.37 g/mol, XLogP of -1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 125417765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).