N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide

C19H21F3N4O4 — CID 122267734

IUPACN-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)c1OC
InChIInChI=1S/C19H21F3N4O4/c1-28-14-7-3-6-13(16(14)29-2)24-18(27)26-10-4-5-12(11-26)30-17-23-9-8-15(25-17)19(20,21)22/h3,6-9,12H,4-5,10-11H2,1-2H3,(H,24,27)
InChIKeyAVGMVLHKBDNFCF-UHFFFAOYSA-N
MW426.40 g/mol
LogP3.59
Rot. Bonds5

About N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide

N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide (PubChem CID 122267734) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
PubChem CID122267734
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC NameN-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)c1OC
InChIInChI=1S/C19H21F3N4O4/c1-28-14-7-3-6-13(16(14)29-2)24-18(27)26-10-4-5-12(11-26)30-17-23-9-8-15(25-17)19(20,21)22/h3,6-9,12H,4-5,10-11H2,1-2H3,(H,24,27)
InChIKeyAVGMVLHKBDNFCF-UHFFFAOYSA-N
XLogP3.59
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267746
N-(3,4-dimethylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267729
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
N-[4-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267743
4-bromo-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]butan-1-one
CID 122267520
(2-methylsulfanylphenyl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267521
3-cyclopentyl-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-1-one
CID 122267406
3-phenyl-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-1-one
CID 122267498
(2-chloro-4-fluorophenyl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267530
N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540277
[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carbonyl]phenyl] acetate
CID 122267598

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide (CID 122267734) is N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
The InChIKey is AVGMVLHKBDNFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4/c1-28-14-7-3-6-13(16(14)29-2)24-18(27)26-10-4-5-12(11-26)30-17-23-9-8-15(25-17)19(20,21)22/h3,6-9,12H,4-5,10-11H2,1-2H3,(H,24,27).
What are the key properties of N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide?
N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide is sourced from PubChem (CID 122267734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).