3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide

C16H23F3N4O — CID 72936838

IUPAC3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCC2CCCCN2C)n1
InChIInChI=1S/C16H23F3N4O/c1-11-9-13(16(17,18)19)22-14(21-11)10-20-15(24)7-6-12-5-3-4-8-23(12)2/h9,12H,3-8,10H2,1-2H3,(H,20,24)
InChIKeyPKOXGIJNYJKRQL-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.68
Rot. Bonds5

About 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide

3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (PubChem CID 72936838) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
PubChem CID72936838
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCC2CCCCN2C)n1
InChIInChI=1S/C16H23F3N4O/c1-11-9-13(16(17,18)19)22-14(21-11)10-20-15(24)7-6-12-5-3-4-8-23(12)2/h9,12H,3-8,10H2,1-2H3,(H,20,24)
InChIKeyPKOXGIJNYJKRQL-UHFFFAOYSA-N
XLogP2.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 652382
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
5-((4,6-Dimethylpyrimidin-2-yl)amino)-1-methylpiperidin-2-one
CID 64668602

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (CID 72936838) is 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is Cc1cc(C(F)(F)F)nc(CNC(=O)CCC2CCCCN2C)n1.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The InChIKey is PKOXGIJNYJKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-11-9-13(16(17,18)19)22-14(21-11)10-20-15(24)7-6-12-5-3-4-8-23(12)2/h9,12H,3-8,10H2,1-2H3,(H,20,24).
What are the key properties of 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 72936838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).