N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C18H22F3N3O2 — CID 133267582

IUPACN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2OCC[C@@H]12)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)12-1-2-16(22-10-12)24-6-3-11(4-7-24)17(25)23-14-9-15-13(14)5-8-26-15/h1-2,10-11,13-15H,3-9H2,(H,23,25)/t13-,14+,15+/m0/s1
InChIKeyZANUPBFIRYLRLZ-RRFJBIMHSA-N
MW369.39 g/mol
LogP2.61
Rot. Bonds3

About N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133267582) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133267582
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2OCC[C@@H]12)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)12-1-2-16(22-10-12)24-6-3-11(4-7-24)17(25)23-14-9-15-13(14)5-8-26-15/h1-2,10-11,13-15H,3-9H2,(H,23,25)/t13-,14+,15+/m0/s1
InChIKeyZANUPBFIRYLRLZ-RRFJBIMHSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
N-(oxolan-3-ylmethoxy)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155949330
N-[(2R)-2-pyrrolidin-1-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 92612338
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
N-[(1R)-1-(furan-2-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9482111
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 17424947
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797
N-[2-(methylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43040213

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 133267582) is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is ZANUPBFIRYLRLZ-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)12-1-2-16(22-10-12)24-6-3-11(4-7-24)17(25)23-14-9-15-13(14)5-8-26-15/h1-2,10-11,13-15H,3-9H2,(H,23,25)/t13-,14+,15+/m0/s1.
What are the key properties of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133267582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).