2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C19H20ClF3N4O — CID 91809980

IUPAC2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H20ClF3N4O/c1-12-24-16(19(21,22)23)11-17(25-12)27-8-6-15(7-9-27)26-18(28)10-13-2-4-14(20)5-3-13/h2-5,11,15H,6-10H2,1H3,(H,26,28)
InChIKeyRRGVMDPPHCAGLX-UHFFFAOYSA-N
MW412.84 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91809980) has the molecular formula C19H20ClF3N4O and a molecular weight of 412.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91809980
Molecular FormulaC19H20ClF3N4O
Molecular Weight412.84 g/mol
Exact Mass412.13
IUPAC Name2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H20ClF3N4O/c1-12-24-16(19(21,22)23)11-17(25-12)27-8-6-15(7-9-27)26-18(28)10-13-2-4-14(20)5-3-13/h2-5,11,15H,6-10H2,1H3,(H,26,28)
InChIKeyRRGVMDPPHCAGLX-UHFFFAOYSA-N
XLogP3.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91809980) is 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is Cc1nc(N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is RRGVMDPPHCAGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O/c1-12-24-16(19(21,22)23)11-17(25-12)27-8-6-15(7-9-27)26-18(28)10-13-2-4-14(20)5-3-13/h2-5,11,15H,6-10H2,1H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 412.84 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91809980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).