N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide

C12H18F4N2O3 — CID 103801707

IUPACN-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C12H18F4N2O3/c13-10(14)12(15,16)11(21)18-5-2-8(3-6-18)9(20)17-4-1-7-19/h8,10,19H,1-7H2,(H,17,20)
InChIKeyBYQXVHFVWANHEH-UHFFFAOYSA-N
MW314.28 g/mol
LogP0.62
Rot. Bonds6

About N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide (PubChem CID 103801707) has the molecular formula C12H18F4N2O3 and a molecular weight of 314.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide
PubChem CID103801707
Molecular FormulaC12H18F4N2O3
Molecular Weight314.28 g/mol
Exact Mass314.13
IUPAC NameN-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C12H18F4N2O3/c13-10(14)12(15,16)11(21)18-5-2-8(3-6-18)9(20)17-4-1-7-19/h8,10,19H,1-7H2,(H,17,20)
InChIKeyBYQXVHFVWANHEH-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide (CID 103801707) is N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide is O=C(NCCCO)C1CCN(C(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide?
The InChIKey is BYQXVHFVWANHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4N2O3/c13-10(14)12(15,16)11(21)18-5-2-8(3-6-18)9(20)17-4-1-7-19/h8,10,19H,1-7H2,(H,17,20).
What are the key properties of N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide has a molecular weight of 314.28 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 103801707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).