2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H22F3N3O — CID 63848368

IUPAC2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCCC1CNC1CC1)NCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-18-12(20)8-19-6-2-1-3-11(19)7-17-10-4-5-10/h10-11,17H,1-9H2,(H,18,20)
InChIKeyGYTDRDSHYWSROU-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63848368) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63848368
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCCC1CNC1CC1)NCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-18-12(20)8-19-6-2-1-3-11(19)7-17-10-4-5-10/h10-11,17H,1-9H2,(H,18,20)
InChIKeyGYTDRDSHYWSROU-UHFFFAOYSA-N
XLogP1.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849232
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63849559
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 111107052
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63848204
2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97078667
N-cyclopropyl-2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-methylacetamide
CID 55258180
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
CID 120967162

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63848368) is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCCCC1CNC1CC1)NCC(F)(F)F.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GYTDRDSHYWSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)9-18-12(20)8-19-6-2-1-3-11(19)7-17-10-4-5-10/h10-11,17H,1-9H2,(H,18,20).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63848368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).