3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C13H22F3N3O — CID 83999887

IUPAC3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CC(F)(F)F)CC(NC2CCCC2)C1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)6-9-5-11(8-19(7-9)12(17)20)18-10-3-1-2-4-10/h9-11,18H,1-8H2,(H2,17,20)
InChIKeyVJTIRXPJTMTVSA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.24
Rot. Bonds3

About 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 83999887) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID83999887
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CC(F)(F)F)CC(NC2CCCC2)C1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)6-9-5-11(8-19(7-9)12(17)20)18-10-3-1-2-4-10/h9-11,18H,1-8H2,(H2,17,20)
InChIKeyVJTIRXPJTMTVSA-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189
1-(2-aminoethyl)-N-cyclohexyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83999651
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
3-(cyclopropylamino)-5-(2-cyclopropyl-2-hydroxyethyl)piperidine-1-carboxamide
CID 83991623
3-(cyclopentylamino)piperidine-1-carboxamide
CID 83999864
3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992254
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83999858
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 83999887) is 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is NC(=O)N1CC(CC(F)(F)F)CC(NC2CCCC2)C1.
What is the InChIKey of 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is VJTIRXPJTMTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)6-9-5-11(8-19(7-9)12(17)20)18-10-3-1-2-4-10/h9-11,18H,1-8H2,(H2,17,20).
What are the key properties of 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 83999887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).