2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide

C16H31FN2O2 — CID 170372315

IUPAC2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(F)(CCCOC(C)C)CC1
InChIInChI=1S/C16H31FN2O2/c1-13(2)18-15(20)12-19-9-7-16(17,8-10-19)6-5-11-21-14(3)4/h13-14H,5-12H2,1-4H3,(H,18,20)
InChIKeyAMXVSHYMZHWKNL-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.52
Rot. Bonds8

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

2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 170372315) has the molecular formula C16H31FN2O2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID170372315
Molecular FormulaC16H31FN2O2
Molecular Weight302.43 g/mol
Exact Mass302.24
IUPAC Name2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(F)(CCCOC(C)C)CC1
InChIInChI=1S/C16H31FN2O2/c1-13(2)18-15(20)12-19-9-7-16(17,8-10-19)6-5-11-21-14(3)4/h13-14H,5-12H2,1-4H3,(H,18,20)
InChIKeyAMXVSHYMZHWKNL-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.52
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-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 170372315) is 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(F)(CCCOC(C)C)CC1.
What is the InChIKey of 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is AMXVSHYMZHWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2O2/c1-13(2)18-15(20)12-19-9-7-16(17,8-10-19)6-5-11-21-14(3)4/h13-14H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 302.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 170372315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).