2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide

C14H24F2N2O2 — CID 170569570

IUPAC2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide
SMILESC=C(C)OCCCC1CCN(CC(=O)NC)CC1(F)F
InChIInChI=1S/C14H24F2N2O2/c1-11(2)20-8-4-5-12-6-7-18(9-13(19)17-3)10-14(12,15)16/h12H,1,4-10H2,2-3H3,(H,17,19)
InChIKeyMUCJYDLAOHWYPH-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.02
Rot. Bonds7

About 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide

2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 170569570) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide
PubChem CID170569570
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide
SMILESC=C(C)OCCCC1CCN(CC(=O)NC)CC1(F)F
InChIInChI=1S/C14H24F2N2O2/c1-11(2)20-8-4-5-12-6-7-18(9-13(19)17-3)10-14(12,15)16/h12H,1,4-10H2,2-3H3,(H,17,19)
InChIKeyMUCJYDLAOHWYPH-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide (CID 170569570) is 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide is C=C(C)OCCCC1CCN(CC(=O)NC)CC1(F)F.
What is the InChIKey of 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is MUCJYDLAOHWYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-11(2)20-8-4-5-12-6-7-18(9-13(19)17-3)10-14(12,15)16/h12H,1,4-10H2,2-3H3,(H,17,19).
What are the key properties of 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide?
2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 290.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 170569570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).