N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide

C18H24F3N3O3 — CID 154838352

IUPACN-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccoc1C(F)(F)F
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)15-14(8-11-27-15)16(25)22-13-6-9-24(10-7-13)17(26)23-12-4-2-1-3-5-12/h8,11-13H,1-7,9-10H2,(H,22,25)(H,23,26)
InChIKeyBOCIXGUISFMCOX-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.53
Rot. Bonds3

About N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide

N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide (PubChem CID 154838352) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide
PubChem CID154838352
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC NameN-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccoc1C(F)(F)F
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)15-14(8-11-27-15)16(25)22-13-6-9-24(10-7-13)17(26)23-12-4-2-1-3-5-12/h8,11-13H,1-7,9-10H2,(H,22,25)(H,23,26)
InChIKeyBOCIXGUISFMCOX-UHFFFAOYSA-N
XLogP3.53
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-amino-N-cyclopentylfuran-3-carboxamide
CID 117213301
2-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-3-carboxamide
CID 106686097
N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 139028961
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70747856
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-cyclohexyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 3223565

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide (CID 154838352) is N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccoc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide?
The InChIKey is BOCIXGUISFMCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c19-18(20,21)15-14(8-11-27-15)16(25)22-13-6-9-24(10-7-13)17(26)23-12-4-2-1-3-5-12/h8,11-13H,1-7,9-10H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide?
N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 154838352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).