N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H22F3N3O — CID 78957846

IUPACN-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(CNC(=O)CNCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H22F3N3O/c1-10(18-5-3-2-4-6-18)7-17-11(19)8-16-9-12(13,14)15/h10,16H,2-9H2,1H3,(H,17,19)
InChIKeyMNXTVZWCZPKHBW-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.13
Rot. Bonds6

About N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957846) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957846
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC NameN-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(CNC(=O)CNCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C12H22F3N3O/c1-10(18-5-3-2-4-6-18)7-17-11(19)8-16-9-12(13,14)15/h10,16H,2-9H2,1H3,(H,17,19)
InChIKeyMNXTVZWCZPKHBW-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

1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
(2S)-N-[(2R)-2-pyrrolidin-1-ylpropyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94112660
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
2-(2,2,2-trifluoroethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726464

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957846) is N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(CNC(=O)CNCC(F)(F)F)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MNXTVZWCZPKHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-10(18-5-3-2-4-6-18)7-17-11(19)8-16-9-12(13,14)15/h10,16H,2-9H2,1H3,(H,17,19).
What are the key properties of N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide 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 N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).