2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

C17H17F3N4O — CID 122353165

IUPAC2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H17F3N4O/c18-13-5-4-12(14(19)15(13)20)16(25)22-10-11-6-7-21-17(23-11)24-8-2-1-3-9-24/h4-7H,1-3,8-10H2,(H,22,25)
InChIKeyCUJVXQCQNLXFQS-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.81
Rot. Bonds4

About 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122353165) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID122353165
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H17F3N4O/c18-13-5-4-12(14(19)15(13)20)16(25)22-10-11-6-7-21-17(23-11)24-8-2-1-3-9-24/h4-7H,1-3,8-10H2,(H,22,25)
InChIKeyCUJVXQCQNLXFQS-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
2-(difluoromethylsulfanyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353149
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353084
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
2-nitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352192

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (CID 122353165) is 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is CUJVXQCQNLXFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-13-5-4-12(14(19)15(13)20)16(25)22-10-11-6-7-21-17(23-11)24-8-2-1-3-9-24/h4-7H,1-3,8-10H2,(H,22,25).
What are the key properties of 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).