N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide

C12H21N3O3 — CID 66239443

IUPACN-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2COCC2N)CC1
InChIInChI=1S/C12H21N3O3/c1-8(16)15-4-2-9(3-5-15)14-12(17)10-6-18-7-11(10)13/h9-11H,2-7,13H2,1H3,(H,14,17)
InChIKeyULTGXUNRWIADQX-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.91
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide

N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide (PubChem CID 66239443) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide
PubChem CID66239443
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2COCC2N)CC1
InChIInChI=1S/C12H21N3O3/c1-8(16)15-4-2-9(3-5-15)14-12(17)10-6-18-7-11(10)13/h9-11H,2-7,13H2,1H3,(H,14,17)
InChIKeyULTGXUNRWIADQX-UHFFFAOYSA-N
XLogP-0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide (CID 66239443) is N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide is CC(=O)N1CCC(NC(=O)C2COCC2N)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide?
The InChIKey is ULTGXUNRWIADQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(16)15-4-2-9(3-5-15)14-12(17)10-6-18-7-11(10)13/h9-11H,2-7,13H2,1H3,(H,14,17).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide?
N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-aminooxolane-3-carboxamide is sourced from PubChem (CID 66239443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).