2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3N3O — CID 55256658

IUPAC2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC(C)C1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-9(16-2)10-4-3-5-18(6-10)7-11(19)17-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyNRSWZYXKGNLRRD-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.98
Rot. Bonds5

About 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55256658) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55256658
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC(C)C1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-9(16-2)10-4-3-5-18(6-10)7-11(19)17-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyNRSWZYXKGNLRRD-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819
2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236480
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853756
N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide
CID 63891364
2-[[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-3-yl]methylamino]acetic acid
CID 106814097
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
CID 63855330
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
CID 63252834
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63853778

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 55256658) is 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CNC(C)C1CCCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NRSWZYXKGNLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-9(16-2)10-4-3-5-18(6-10)7-11(19)17-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55256658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).