N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide

C14H27N3O4 — CID 75367114

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCN(C)CC2)[C@@H]1O
InChIInChI=1S/C14H27N3O4/c1-17-5-3-10(4-6-17)16-11-8-21-12(14(11)19)7-15-13(18)9-20-2/h10-12,14,16,19H,3-9H2,1-2H3,(H,15,18)/t11-,12-,14+/m1/s1
InChIKeyBAMIMZJJGNFRSB-BZPMIXESSA-N
MW301.39 g/mol
LogP-1.44
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75367114) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75367114
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC2CCN(C)CC2)[C@@H]1O
InChIInChI=1S/C14H27N3O4/c1-17-5-3-10(4-6-17)16-11-8-21-12(14(11)19)7-15-13(18)9-20-2/h10-12,14,16,19H,3-9H2,1-2H3,(H,15,18)/t11-,12-,14+/m1/s1
InChIKeyBAMIMZJJGNFRSB-BZPMIXESSA-N
XLogP-1.44
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-1.44
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)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide (CID 75367114) is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NC2CCN(C)CC2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is BAMIMZJJGNFRSB-BZPMIXESSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-17-5-3-10(4-6-17)16-11-8-21-12(14(11)19)7-15-13(18)9-20-2/h10-12,14,16,19H,3-9H2,1-2H3,(H,15,18)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 301.39 g/mol, XLogP of -1.44, 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)-3-hydroxy-4-[(1-methylpiperidin-4-yl)amino]oxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75367114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).