N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide

C14H26F3N3O — CID 64850427

IUPACN-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCCC(CC)NC(=O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H26F3N3O/c1-3-11(4-2)19-13(21)9-20(10-14(15,16)17)12-5-7-18-8-6-12/h11-12,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyPJASUEQHDYCXET-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.91
Rot. Bonds7

About N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide

N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 64850427) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID64850427
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCCC(CC)NC(=O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H26F3N3O/c1-3-11(4-2)19-13(21)9-20(10-14(15,16)17)12-5-7-18-8-6-12/h11-12,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyPJASUEQHDYCXET-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850232
N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851600
N-methyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851792
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide
CID 64851985
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
CID 63300371
N-carbamoyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850430
N-cyclopentyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850629
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
N,N-diethyl-N'-piperidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 64852960
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide (CID 64850427) is N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide is CCC(CC)NC(=O)CN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is PJASUEQHDYCXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-3-11(4-2)19-13(21)9-20(10-14(15,16)17)12-5-7-18-8-6-12/h11-12,18H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 309.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 64850427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).