6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide

C21H25FN4O2 — CID 110109928

IUPAC6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)c3ccccc3F)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C21H25FN4O2/c1-14-23-16(12-19(24-14)21(28)25(2)3)11-15-7-6-10-26(13-15)20(27)17-8-4-5-9-18(17)22/h4-5,8-9,12,15H,6-7,10-11,13H2,1-3H3
InChIKeyKCESRAIVXIHNGK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.72
Rot. Bonds4

About 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide

6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide (PubChem CID 110109928) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
PubChem CID110109928
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)c3ccccc3F)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C21H25FN4O2/c1-14-23-16(12-19(24-14)21(28)25(2)3)11-15-7-6-10-26(13-15)20(27)17-8-4-5-9-18(17)22/h4-5,8-9,12,15H,6-7,10-11,13H2,1-3H3
InChIKeyKCESRAIVXIHNGK-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide with MolForge

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Related Compounds

6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 124986814
N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100816
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245492
6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 124975865
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42558084
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 83997186
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641217

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The IUPAC name of 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide (CID 110109928) is 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide is Cc1nc(CC2CCCN(C(=O)c3ccccc3F)C2)cc(C(=O)N(C)C)n1.
What is the InChIKey of 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
The InChIKey is KCESRAIVXIHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-14-23-16(12-19(24-14)21(28)25(2)3)11-15-7-6-10-26(13-15)20(27)17-8-4-5-9-18(17)22/h4-5,8-9,12,15H,6-7,10-11,13H2,1-3H3.
What are the key properties of 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide?
6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110109928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).