N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C18H19F3N4O2 — CID 91892432

IUPACN-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C18H19F3N4O2/c1-27-14-4-2-13(3-5-14)24-17(26)12-6-8-25(9-7-12)16-10-15(18(19,20)21)22-11-23-16/h2-5,10-12H,6-9H2,1H3,(H,24,26)
InChIKeyUMXKJYRWVBTRPI-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.36
Rot. Bonds4

About N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91892432) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91892432
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C18H19F3N4O2/c1-27-14-4-2-13(3-5-14)24-17(26)12-6-8-25(9-7-12)16-10-15(18(19,20)21)22-11-23-16/h2-5,10-12H,6-9H2,1H3,(H,24,26)
InChIKeyUMXKJYRWVBTRPI-UHFFFAOYSA-N
XLogP3.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 44433472
N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
5-fluoro-N-(4-methoxyphenyl)-4-(4-morpholinyl)-2-pyrimidinamine
CID 2210271
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 3221265
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 3224210
N-(4-methoxyphenyl)-N'-phenylpyrimidine-4,6-diamine
CID 22432844
N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 655328
N-(2-morpholin-4-yl-ethyl)-N'-(4-trifluoromethoxy-phenyl)-pyrimidine-4,6-diamine
CID 5312285
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
N-(6-{4-[3-(3-Trifluoromethyl-phenyl)-ureido]-phenoxy}-pyrimidin-4-yl)-acetamide
CID 11201276

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91892432) is N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is UMXKJYRWVBTRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-27-14-4-2-13(3-5-14)24-17(26)12-6-8-25(9-7-12)16-10-15(18(19,20)21)22-11-23-16/h2-5,10-12H,6-9H2,1H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91892432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).