N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C20H30F3N3O2 — CID 166343555

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)C1C2CN(CC(F)(F)F)CC21
InChIInChI=1S/C20H30F3N3O2/c21-20(22,23)12-25-10-15-16(11-25)17(15)18(27)24-14-6-8-26(9-7-14)19(28)13-4-2-1-3-5-13/h13-17H,1-12H2,(H,24,27)
InChIKeyKVUSECMKQWFYLI-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 166343555) has the molecular formula C20H30F3N3O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID166343555
Molecular FormulaC20H30F3N3O2
Molecular Weight401.47 g/mol
Exact Mass401.23
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)C1C2CN(CC(F)(F)F)CC21
InChIInChI=1S/C20H30F3N3O2/c21-20(22,23)12-25-10-15-16(11-25)17(15)18(27)24-14-6-8-26(9-7-14)19(28)13-4-2-1-3-5-13/h13-17H,1-12H2,(H,24,27)
InChIKeyKVUSECMKQWFYLI-UHFFFAOYSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
cyclopentyl-[2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 121185694
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 124588447
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
cyclobutyl-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 78870570
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 166343555) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)C1C2CN(CC(F)(F)F)CC21.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is KVUSECMKQWFYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O2/c21-20(22,23)12-25-10-15-16(11-25)17(15)18(27)24-14-6-8-26(9-7-14)19(28)13-4-2-1-3-5-13/h13-17H,1-12H2,(H,24,27).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 166343555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).