2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide

C15H28F2N2O2 — CID 175628309

IUPAC2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide
SMILESCCOCCC[C@@H]1CCN(CC(=O)NC(C)C)CC1(F)F
InChIInChI=1S/C15H28F2N2O2/c1-4-21-9-5-6-13-7-8-19(11-15(13,16)17)10-14(20)18-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyGEXXIRVKEVUCAB-CYBMUJFWSA-N
MW306.40 g/mol
LogP2.28
Rot. Bonds8

About 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide

2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 175628309) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID175628309
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Name2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide
SMILESCCOCCC[C@@H]1CCN(CC(=O)NC(C)C)CC1(F)F
InChIInChI=1S/C15H28F2N2O2/c1-4-21-9-5-6-13-7-8-19(11-15(13,16)17)10-14(20)18-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyGEXXIRVKEVUCAB-CYBMUJFWSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.28
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)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide (CID 175628309) is 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide is CCOCCC[C@@H]1CCN(CC(=O)NC(C)C)CC1(F)F.
What is the InChIKey of 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is GEXXIRVKEVUCAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-4-21-9-5-6-13-7-8-19(11-15(13,16)17)10-14(20)18-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide?
2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 306.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 175628309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).