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

C19H21F3N4O — CID 91809803

IUPAC2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1ccc(CC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O/c1-13-2-4-14(5-3-13)10-18(27)25-15-6-8-26(9-7-15)17-11-16(19(20,21)22)23-12-24-17/h2-5,11-12,15H,6-10H2,1H3,(H,25,27)
InChIKeyXGYWVKZZSFIEMD-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.13
Rot. Bonds4

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

2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91809803) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91809803
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1ccc(CC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O/c1-13-2-4-14(5-3-13)10-18(27)25-15-6-8-26(9-7-15)17-11-16(19(20,21)22)23-12-24-17/h2-5,11-12,15H,6-10H2,1H3,(H,25,27)
InChIKeyXGYWVKZZSFIEMD-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91809803) is 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is Cc1ccc(CC(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is XGYWVKZZSFIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-13-2-4-14(5-3-13)10-18(27)25-15-6-8-26(9-7-15)17-11-16(19(20,21)22)23-12-24-17/h2-5,11-12,15H,6-10H2,1H3,(H,25,27).
What are the key properties of 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 378.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91809803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).