2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide

C15H25F2N3O3 — CID 163352503

IUPAC2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCOC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H25F2N3O3/c1-11(2)18-13(21)10-19-7-8-23-12(9-19)14(22)20-5-3-15(16,17)4-6-20/h11-12H,3-10H2,1-2H3,(H,18,21)
InChIKeyKOVVQSHVNCRNPE-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.47
Rot. Bonds4

About 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide

2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide (PubChem CID 163352503) has the molecular formula C15H25F2N3O3 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide
PubChem CID163352503
Molecular FormulaC15H25F2N3O3
Molecular Weight333.38 g/mol
Exact Mass333.19
IUPAC Name2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCOC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H25F2N3O3/c1-11(2)18-13(21)10-19-7-8-23-12(9-19)14(22)20-5-3-15(16,17)4-6-20/h11-12H,3-10H2,1-2H3,(H,18,21)
InChIKeyKOVVQSHVNCRNPE-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.47
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]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide (CID 163352503) is 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide is CC(C)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]-N-propan-2-ylacetamide?
The InChIKey is KOVVQSHVNCRNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O3/c1-11(2)18-13(21)10-19-7-8-23-12(9-19)14(22)20-5-3-15(16,17)4-6-20/h11-12H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide?
2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 333.38 g/mol, XLogP of 0.47, 4 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 163352503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).