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

C16H23F3N4O — CID 97210003

IUPAC3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CC[C@H]2CCCCN2C)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)/t12-/m1/s1
InChIKeyPKOXGIJNYJKRQL-GFCCVEGCSA-N
MW344.38 g/mol
LogP2.68
Rot. Bonds5

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

3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (PubChem CID 97210003) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
PubChem CID97210003
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CC[C@H]2CCCCN2C)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)/t12-/m1/s1
InChIKeyPKOXGIJNYJKRQL-GFCCVEGCSA-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

N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide
CID 72939700
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50961629
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]azepane-4-carboxamide
CID 122562699
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126444471
3-cyclopentyl-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322209
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
CID 110855386

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The IUPAC name of 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide (CID 97210003) is 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is Cc1cc(C(F)(F)F)nc(CNC(=O)CC[C@H]2CCCCN2C)n1.
What is the InChIKey of 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
The InChIKey is PKOXGIJNYJKRQL-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of 3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide?
3-[(2R)-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-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 97210003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).