2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen

C15H30F2N2O2 — CID 170569595

IUPAC2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen
SMILESCCNC(=O)CN1CCC(CC(F)(F)COC(C)C)CC1.[H][H]
InChIInChI=1S/C15H28F2N2O2.H2/c1-4-18-14(20)10-19-7-5-13(6-8-19)9-15(16,17)11-21-12(2)3;/h12-13H,4-11H2,1-3H3,(H,18,20);1H
InChIKeyZYJCHERZGXIPGZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.53
Rot. Bonds8

About 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen

2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen (PubChem CID 170569595) has the molecular formula C15H30F2N2O2 and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen
PubChem CID170569595
Molecular FormulaC15H30F2N2O2
Molecular Weight308.41 g/mol
Exact Mass308.23
IUPAC Name2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen
SMILESCCNC(=O)CN1CCC(CC(F)(F)COC(C)C)CC1.[H][H]
InChIInChI=1S/C15H28F2N2O2.H2/c1-4-18-14(20)10-19-7-5-13(6-8-19)9-15(16,17)11-21-12(2)3;/h12-13H,4-11H2,1-3H3,(H,18,20);1H
InChIKeyZYJCHERZGXIPGZ-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen?
The IUPAC name of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen (CID 170569595) is 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen.
What is the SMILES notation for 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen?
The canonical SMILES for 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen is CCNC(=O)CN1CCC(CC(F)(F)COC(C)C)CC1.[H][H].
What is the InChIKey of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen?
The InChIKey is ZYJCHERZGXIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2.H2/c1-4-18-14(20)10-19-7-5-13(6-8-19)9-15(16,17)11-21-12(2)3;/h12-13H,4-11H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen?
2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen has a molecular weight of 308.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen is sourced from PubChem (CID 170569595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).