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

C16H30F2N2O2 — CID 170372110

IUPAC2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(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)
InChIKeyQDUSZCYISNNKOO-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.67
Rot. Bonds8

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

2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 170372110) has the molecular formula C16H30F2N2O2 and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID170372110
Molecular FormulaC16H30F2N2O2
Molecular Weight320.42 g/mol
Exact Mass320.23
IUPAC Name2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(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)
InChIKeyQDUSZCYISNNKOO-UHFFFAOYSA-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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Related Compounds

2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170372111
2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170372114
2-[(3R)-3-[3-[5-[3-[(3R,5S)-3,5-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-2,2-difluoropropoxy]hexan-2-yloxy]propyl]pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 170372120
2-[4-(1,1-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170372133
2-[4-fluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170372315
2-[(4S)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170529800
2-[3,3-difluoro-4-(3-prop-1-en-2-yloxypropyl)piperidin-1-yl]-N-methylacetamide
CID 170569570
2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-ethylacetamide;molecular hydrogen
CID 170569595
N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170755478
2-[4-(3-ethoxypropyl)-3,3-difluoropiperidin-1-yl]-N-propan-2-ylacetamide
CID 175626344
2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 175626347
2-[4-(1,1-difluoro-3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 175626403

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 170372110) is 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(CCCOC(C)C)C(F)(F)C1.
What is the InChIKey of 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is QDUSZCYISNNKOO-UHFFFAOYSA-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).
What are the key properties of 2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[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-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 170372110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).