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

C16H30F2N2O2 — CID 170372111

IUPAC2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC[C@@H](CCCOC(C)C)C(F)(F)C1
InChIInChI=1S/C16H30F2N2O2/c1-12(2)19-15(21)10-20-8-7-14(16(17,18)11-20)6-5-9-22-13(3)4/h12-14H,5-11H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyQDUSZCYISNNKOO-CQSZACIVSA-N
MW320.42 g/mol
LogP2.67
Rot. Bonds8

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

2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 170372111) has the molecular formula C16H30F2N2O2 and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID170372111
Molecular FormulaC16H30F2N2O2
Molecular Weight320.42 g/mol
Exact Mass320.23
IUPAC Name2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC[C@@H](CCCOC(C)C)C(F)(F)C1
InChIInChI=1S/C16H30F2N2O2/c1-12(2)19-15(21)10-20-8-7-14(16(17,18)11-20)6-5-9-22-13(3)4/h12-14H,5-11H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyQDUSZCYISNNKOO-CQSZACIVSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.67
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-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 170372111) is 2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CC[C@@H](CCCOC(C)C)C(F)(F)C1.
What is the InChIKey of 2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is QDUSZCYISNNKOO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30F2N2O2/c1-12(2)19-15(21)10-20-8-7-14(16(17,18)11-20)6-5-9-22-13(3)4/h12-14H,5-11H2,1-4H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 320.42 g/mol, XLogP of 2.67, 8 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-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 170372111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).