N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide

C14H25N3O4 — CID 155986872

IUPACN-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C2CCN(C(C)=O)CC2)C[C@H]1O
InChIInChI=1S/C14H25N3O4/c1-10(18)16-5-3-11(4-6-16)17-7-12(13(19)8-17)15-14(20)9-21-2/h11-13,19H,3-9H2,1-2H3,(H,15,20)/t12-,13-/m1/s1
InChIKeyOZIHVOOQNCJOEZ-CHWSQXEVSA-N
MW299.37 g/mol
LogP-1.20
Rot. Bonds4

About N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 155986872) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID155986872
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(C2CCN(C(C)=O)CC2)C[C@H]1O
InChIInChI=1S/C14H25N3O4/c1-10(18)16-5-3-11(4-6-16)17-7-12(13(19)8-17)15-14(20)9-21-2/h11-13,19H,3-9H2,1-2H3,(H,15,20)/t12-,13-/m1/s1
InChIKeyOZIHVOOQNCJOEZ-CHWSQXEVSA-N
XLogP-1.20
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide (CID 155986872) is N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(C2CCN(C(C)=O)CC2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is OZIHVOOQNCJOEZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(18)16-5-3-11(4-6-16)17-7-12(13(19)8-17)15-14(20)9-21-2/h11-13,19H,3-9H2,1-2H3,(H,15,20)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 299.37 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(1-acetylpiperidin-4-yl)-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 155986872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).