N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide

C12H21N3O3 — CID 66236035

IUPACN-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C2COCC2N)C1
InChIInChI=1S/C12H21N3O3/c1-8(16)14-9-3-2-4-15(5-9)12(17)10-6-18-7-11(10)13/h9-11H,2-7,13H2,1H3,(H,14,16)
InChIKeyAUPWNAWAKQOIKX-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.91
Rot. Bonds2

About N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide

N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 66236035) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID66236035
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C2COCC2N)C1
InChIInChI=1S/C12H21N3O3/c1-8(16)14-9-3-2-4-15(5-9)12(17)10-6-18-7-11(10)13/h9-11H,2-7,13H2,1H3,(H,14,16)
InChIKeyAUPWNAWAKQOIKX-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-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide (CID 66236035) is N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)C2COCC2N)C1.
What is the InChIKey of N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is AUPWNAWAKQOIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(16)14-9-3-2-4-15(5-9)12(17)10-6-18-7-11(10)13/h9-11H,2-7,13H2,1H3,(H,14,16).
What are the key properties of N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide?
N-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide 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-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 66236035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).