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

C15H27N3O5 — CID 75536575

IUPACN-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCN(C(C)=O)CC2)[C@@H]1O
InChIInChI=1S/C15H27N3O5/c1-10(19)18-5-3-11(4-6-18)17-12-8-23-13(15(12)21)7-16-14(20)9-22-2/h11-13,15,17,21H,3-9H2,1-2H3,(H,16,20)/t12-,13-,15+/m1/s1
InChIKeyGDYOJKHZVVUIBE-NFAWXSAZSA-N
MW329.40 g/mol
LogP-1.52
Rot. Bonds6

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

N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75536575) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75536575
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC NameN-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCN(C(C)=O)CC2)[C@@H]1O
InChIInChI=1S/C15H27N3O5/c1-10(19)18-5-3-11(4-6-18)17-12-8-23-13(15(12)21)7-16-14(20)9-22-2/h11-13,15,17,21H,3-9H2,1-2H3,(H,16,20)/t12-,13-,15+/m1/s1
InChIKeyGDYOJKHZVVUIBE-NFAWXSAZSA-N
XLogP-1.52
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (CID 75536575) is N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NC2CCN(C(C)=O)CC2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is GDYOJKHZVVUIBE-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-10(19)18-5-3-11(4-6-18)17-12-8-23-13(15(12)21)7-16-14(20)9-22-2/h11-13,15,17,21H,3-9H2,1-2H3,(H,16,20)/t12-,13-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 329.40 g/mol, XLogP of -1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75536575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).