N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide

C17H23F3N4O2 — CID 139028961

IUPACN-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-6-9-21-15(23-14)26-13-7-10-24(11-8-13)16(25)22-12-4-2-1-3-5-12/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,25)
InChIKeyBFDJKXWYYKOIKD-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.38
Rot. Bonds3

About N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide

N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide (PubChem CID 139028961) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
PubChem CID139028961
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC NameN-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-6-9-21-15(23-14)26-13-7-10-24(11-8-13)16(25)22-12-4-2-1-3-5-12/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,25)
InChIKeyBFDJKXWYYKOIKD-UHFFFAOYSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
N-[4-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267743
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]butan-2-yl]carbamate
CID 91365489
3-cyclopentyl-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-1-one
CID 122267406
N-(3,4-dimethylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267729
N-(3,5-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267746
4-bromo-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]butan-1-one
CID 122267520
N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267734
3-phenyl-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-1-one
CID 122267498
1H-imidazol-5-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267691
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carbonyl]phenyl] acetate
CID 122267598

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide (CID 139028961) is N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
The InChIKey is BFDJKXWYYKOIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)14-6-9-21-15(23-14)26-13-7-10-24(11-8-13)16(25)22-12-4-2-1-3-5-12/h6,9,12-13H,1-5,7-8,10-11H2,(H,22,25).
What are the key properties of N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide is sourced from PubChem (CID 139028961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).