2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide

C12H22F3N3O — CID 64851985

IUPAC2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H22F3N3O/c1-2-5-17-11(19)8-18(9-12(13,14)15)10-3-6-16-7-4-10/h10,16H,2-9H2,1H3,(H,17,19)
InChIKeyZPTKOIVWAKJLDO-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.13
Rot. Bonds6

About 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide

2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide (PubChem CID 64851985) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide
PubChem CID64851985
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H22F3N3O/c1-2-5-17-11(19)8-18(9-12(13,14)15)10-3-6-16-7-4-10/h10,16H,2-9H2,1H3,(H,17,19)
InChIKeyZPTKOIVWAKJLDO-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
N-methyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851792
N-pentan-2-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850232
N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850427
N-carbamoyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850430
N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851600
N-cyclopentyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850629
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
CID 119913381
N-(cyclopropylmethyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806815
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide?
The IUPAC name of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide (CID 64851985) is 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide is CCCNC(=O)CN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide?
The InChIKey is ZPTKOIVWAKJLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-2-5-17-11(19)8-18(9-12(13,14)15)10-3-6-16-7-4-10/h10,16H,2-9H2,1H3,(H,17,19).
What are the key properties of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide?
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide has a molecular weight of 281.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide is sourced from PubChem (CID 64851985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).