2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C20H28F3N3O2 — CID 120812343

IUPAC2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccccc1OC1CCCCC1
InChIInChI=1S/C20H28F3N3O2/c21-20(22,23)18(26-12-10-24-11-13-26)14-25-19(27)16-8-4-5-9-17(16)28-15-6-2-1-3-7-15/h4-5,8-9,15,18,24H,1-3,6-7,10-14H2,(H,25,27)
InChIKeyNQCIQRJAYXGONO-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.96
Rot. Bonds6

About 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120812343) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120812343
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1ccccc1OC1CCCCC1
InChIInChI=1S/C20H28F3N3O2/c21-20(22,23)18(26-12-10-24-11-13-26)14-25-19(27)16-8-4-5-9-17(16)28-15-6-2-1-3-7-15/h4-5,8-9,15,18,24H,1-3,6-7,10-14H2,(H,25,27)
InChIKeyNQCIQRJAYXGONO-UHFFFAOYSA-N
XLogP2.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813289
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339
2-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466231
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813829
2-propan-2-ylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813410
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120811361
2-bromo-5-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810815
3-(2,2-difluoroethoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811360
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120812343) is 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1ccccc1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is NQCIQRJAYXGONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c21-20(22,23)18(26-12-10-24-11-13-26)14-25-19(27)16-8-4-5-9-17(16)28-15-6-2-1-3-7-15/h4-5,8-9,15,18,24H,1-3,6-7,10-14H2,(H,25,27).
What are the key properties of 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 399.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120812343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).