2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C19H22F3N5O2 — CID 135719645

IUPAC2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(C(=O)N2CCC(Nc3nc(C(F)(F)F)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C19H22F3N5O2/c1-26(2)14-5-3-12(4-6-14)17(29)27-9-7-13(8-10-27)23-18-24-15(19(20,21)22)11-16(28)25-18/h3-6,11,13H,7-10H2,1-2H3,(H2,23,24,25,28)
InChIKeyLZPGTMIXOPIHQL-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.57
Rot. Bonds4

About 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135719645) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135719645
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(C(=O)N2CCC(Nc3nc(C(F)(F)F)cc(=O)[nH]3)CC2)cc1
InChIInChI=1S/C19H22F3N5O2/c1-26(2)14-5-3-12(4-6-14)17(29)27-9-7-13(8-10-27)23-18-24-15(19(20,21)22)11-16(28)25-18/h3-6,11,13H,7-10H2,1-2H3,(H2,23,24,25,28)
InChIKeyLZPGTMIXOPIHQL-UHFFFAOYSA-N
XLogP2.57
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135719645) is 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CN(C)c1ccc(C(=O)N2CCC(Nc3nc(C(F)(F)F)cc(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is LZPGTMIXOPIHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-26(2)14-5-3-12(4-6-14)17(29)27-9-7-13(8-10-27)23-18-24-15(19(20,21)22)11-16(28)25-18/h3-6,11,13H,7-10H2,1-2H3,(H2,23,24,25,28).
What are the key properties of 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 409.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135719645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).