2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one

C14H24F3N3O — CID 79793264

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCC(CN2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-13(18,14(15,16)17)12(21)20-8-4-11(5-9-20)10-19-6-2-3-7-19/h11H,2-10,18H2,1H3
InChIKeyISGJFQKAZVRAOV-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.60
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 79793264) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID79793264
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(N)(C(=O)N1CCC(CN2CCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3N3O/c1-13(18,14(15,16)17)12(21)20-8-4-11(5-9-20)10-19-6-2-3-7-19/h11H,2-10,18H2,1H3
InChIKeyISGJFQKAZVRAOV-UHFFFAOYSA-N
XLogP1.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
CID 79804808
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 82821865
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 63007703
2-amino-3,3,3-trifluoro-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495390
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 107218232
2-amino-3,3,3-trifluoro-2-methyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 79810894
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
(3R)-1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 81120268
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
2-amino-1-(4,4-dimethylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79812146

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 79793264) is 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one is CC(N)(C(=O)N1CCC(CN2CCCC2)CC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ISGJFQKAZVRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-13(18,14(15,16)17)12(21)20-8-4-11(5-9-20)10-19-6-2-3-7-19/h11H,2-10,18H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 307.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 79793264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).