N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide

C16H25N3O4 — CID 91920872

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)CC[C@@H]1CO
InChIInChI=1S/C16H25N3O4/c1-22-11-15(21)18-14-9-19(7-6-12(14)10-20)8-13-4-3-5-16(17-13)23-2/h3-5,12,14,20H,6-11H2,1-2H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyOEEXXUKFDOOWST-TZMCWYRMSA-N
MW323.39 g/mol
LogP0.04
Rot. Bonds7

About N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide

N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 91920872) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide
PubChem CID91920872
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)CC[C@@H]1CO
InChIInChI=1S/C16H25N3O4/c1-22-11-15(21)18-14-9-19(7-6-12(14)10-20)8-13-4-3-5-16(17-13)23-2/h3-5,12,14,20H,6-11H2,1-2H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyOEEXXUKFDOOWST-TZMCWYRMSA-N
XLogP0.04
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide (CID 91920872) is N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(Cc2cccc(OC)n2)CC[C@@H]1CO.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is OEEXXUKFDOOWST-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-22-11-15(21)18-14-9-19(7-6-12(14)10-20)8-13-4-3-5-16(17-13)23-2/h3-5,12,14,20H,6-11H2,1-2H3,(H,18,21)/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 323.39 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 91920872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).