2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide

C14H26F2N2O2 — CID 175626347

IUPAC2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCOCCC[C@@H]1CCN(CC(=O)NC(C)C)CC1(F)F
InChIInChI=1S/C14H26F2N2O2/c1-11(2)17-13(19)9-18-7-6-12(5-4-8-20-3)14(15,16)10-18/h11-12H,4-10H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyFERXXVBWPFKQSR-GFCCVEGCSA-N
MW292.37 g/mol
LogP1.89
Rot. Bonds7

About 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 175626347) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID175626347
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Name2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCOCCC[C@@H]1CCN(CC(=O)NC(C)C)CC1(F)F
InChIInChI=1S/C14H26F2N2O2/c1-11(2)17-13(19)9-18-7-6-12(5-4-8-20-3)14(15,16)10-18/h11-12H,4-10H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyFERXXVBWPFKQSR-GFCCVEGCSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 175626347) is 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is COCCC[C@@H]1CCN(CC(=O)NC(C)C)CC1(F)F.
What is the InChIKey of 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FERXXVBWPFKQSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-11(2)17-13(19)9-18-7-6-12(5-4-8-20-3)14(15,16)10-18/h11-12H,4-10H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 292.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 175626347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).