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

C11H17F3N2O3 — CID 64591682

IUPACN-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)10(19)16-5-2-8(3-6-16)9(18)15-4-1-7-17/h8,17H,1-7H2,(H,15,18)
InChIKeyVZTYVVINGMJLDI-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.29
Rot. Bonds4

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

N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 64591682) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID64591682
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)10(19)16-5-2-8(3-6-16)9(18)15-4-1-7-17/h8,17H,1-7H2,(H,15,18)
InChIKeyVZTYVVINGMJLDI-UHFFFAOYSA-N
XLogP0.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
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 N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 64591682) is N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCCCO)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is VZTYVVINGMJLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)10(19)16-5-2-8(3-6-16)9(18)15-4-1-7-17/h8,17H,1-7H2,(H,15,18).
What are the key properties of N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 64591682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).