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

C12H17F3N2O3 — CID 110868822

IUPACN-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCOC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(19)17-4-1-8(2-5-17)10(18)16-9-3-6-20-7-9/h8-9H,1-7H2,(H,16,18)
InChIKeySRVNUIWEZFBUTO-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.69
Rot. Bonds2

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

N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110868822) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110868822
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC NameN-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCOC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(19)17-4-1-8(2-5-17)10(18)16-9-3-6-20-7-9/h8-9H,1-7H2,(H,16,18)
InChIKeySRVNUIWEZFBUTO-UHFFFAOYSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110868822) is N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NC1CCOC1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is SRVNUIWEZFBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)11(19)17-4-1-8(2-5-17)10(18)16-9-3-6-20-7-9/h8-9H,1-7H2,(H,16,18).
What are the key properties of N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110868822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).