2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C13H24F3N3O — CID 106637814

IUPAC2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(=O)NCC(F)(F)F)CC1CCCNC1
InChIInChI=1S/C13H24F3N3O/c1-10(2)19(7-11-4-3-5-17-6-11)8-12(20)18-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3,(H,18,20)
InChIKeyNVVGVNPQUNCHHW-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.37
Rot. Bonds6

About 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106637814) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106637814
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(=O)NCC(F)(F)F)CC1CCCNC1
InChIInChI=1S/C13H24F3N3O/c1-10(2)19(7-11-4-3-5-17-6-11)8-12(20)18-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3,(H,18,20)
InChIKeyNVVGVNPQUNCHHW-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637889
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106636258
2-(piperidin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55061103
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 106637776
N-(pyrrolidin-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62370891
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate
CID 106637513
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
CID 106629118
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 106637814) is 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(=O)NCC(F)(F)F)CC1CCCNC1.
What is the InChIKey of 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NVVGVNPQUNCHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-10(2)19(7-11-4-3-5-17-6-11)8-12(20)18-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3,(H,18,20).
What are the key properties of 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106637814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).