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

C14H26F3N3O — CID 64851600

IUPACN-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC(C)C(C)NC(=O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H26F3N3O/c1-10(2)11(3)19-13(21)8-20(9-14(15,16)17)12-4-6-18-7-5-12/h10-12,18H,4-9H2,1-3H3,(H,19,21)
InChIKeyNIGJPSSKCZRSGX-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.76
Rot. Bonds6

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

N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 64851600) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID64851600
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC(C)C(C)NC(=O)CN(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H26F3N3O/c1-10(2)11(3)19-13(21)8-20(9-14(15,16)17)12-4-6-18-7-5-12/h10-12,18H,4-9H2,1-3H3,(H,19,21)
InChIKeyNIGJPSSKCZRSGX-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.76
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-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850427
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
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
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
N-(2-propan-2-ylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106732675
1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 64850618

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide (CID 64851600) is N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide is CC(C)C(C)NC(=O)CN(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is NIGJPSSKCZRSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-10(2)11(3)19-13(21)8-20(9-14(15,16)17)12-4-6-18-7-5-12/h10-12,18H,4-9H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide?
N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 309.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 64851600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).