N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide

C11H17F3N2O2 — CID 108932797

IUPACN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-2-9(17)15-7-8-3-5-16(6-4-8)10(18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyFDNVOYYOSKVNOT-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.31
Rot. Bonds3

About N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide (PubChem CID 108932797) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
PubChem CID108932797
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-2-9(17)15-7-8-3-5-16(6-4-8)10(18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyFDNVOYYOSKVNOT-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
tert-butyl N-[3-oxo-3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919197
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692
(2E,4E)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide
CID 75408168
2-(1-hydroxycyclopentyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 111540531
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide
CID 119806640
2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983925
3-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]butanamide
CID 120501736
2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 108932815
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide;hydrochloride
CID 119806639
N-[(1-iodopiperidin-4-yl)methyl]propanamide
CID 146581381
3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806615

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide (CID 108932797) is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide is CCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is FDNVOYYOSKVNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-9(17)15-7-8-3-5-16(6-4-8)10(18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 266.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 108932797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).