3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C19H21F3N4O2 — CID 119048744

IUPAC3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccc(Oc3ncccn3)cc2)CCC1C(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c1-18(2)12-26(11-8-15(18)19(20,21)22)17(27)25-13-4-6-14(7-5-13)28-16-23-9-3-10-24-16/h3-7,9-10,15H,8,11-12H2,1-2H3,(H,25,27)
InChIKeyYNIRFHKNYHFZNH-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.71
Rot. Bonds3

About 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide

3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 119048744) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID119048744
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccc(Oc3ncccn3)cc2)CCC1C(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c1-18(2)12-26(11-8-15(18)19(20,21)22)17(27)25-13-4-6-14(7-5-13)28-16-23-9-3-10-24-16/h3-7,9-10,15H,8,11-12H2,1-2H3,(H,25,27)
InChIKeyYNIRFHKNYHFZNH-UHFFFAOYSA-N
XLogP4.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2,2-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124852174
(4S)-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124851582
N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71889282
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119048714
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012959
(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124732054
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128701518
2,2-dimethyl-N-[4-(oxetan-3-yloxy)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119045013
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 119048744) is 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide is CC1(C)CN(C(=O)Nc2ccc(Oc3ncccn3)cc2)CCC1C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is YNIRFHKNYHFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-18(2)12-26(11-8-15(18)19(20,21)22)17(27)25-13-4-6-14(7-5-13)28-16-23-9-3-10-24-16/h3-7,9-10,15H,8,11-12H2,1-2H3,(H,25,27).
What are the key properties of 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119048744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).