2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide

C12H19F2N3O3 — CID 163349226

IUPAC2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H19F2N3O3/c13-12(14)1-3-17(4-2-12)11(19)9-7-16(5-6-20-9)8-10(15)18/h9H,1-8H2,(H2,15,18)
InChIKeyLAMORTNXYHGUQD-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.57
Rot. Bonds3

About 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide

2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide (PubChem CID 163349226) has the molecular formula C12H19F2N3O3 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide
PubChem CID163349226
Molecular FormulaC12H19F2N3O3
Molecular Weight291.30 g/mol
Exact Mass291.14
IUPAC Name2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide
SMILESNC(=O)CN1CCOC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H19F2N3O3/c13-12(14)1-3-17(4-2-12)11(19)9-7-16(5-6-20-9)8-10(15)18/h9H,1-8H2,(H2,15,18)
InChIKeyLAMORTNXYHGUQD-UHFFFAOYSA-N
XLogP-0.57
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide?
The IUPAC name of 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide (CID 163349226) is 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide?
The canonical SMILES for 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide is NC(=O)CN1CCOC(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide?
The InChIKey is LAMORTNXYHGUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O3/c13-12(14)1-3-17(4-2-12)11(19)9-7-16(5-6-20-9)8-10(15)18/h9H,1-8H2,(H2,15,18).
What are the key properties of 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide?
2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide has a molecular weight of 291.30 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 163349226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).