N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C20H25N5O2 — CID 3223264

IUPACN-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-13-12-14(2)22-20(21-13)25-10-8-16(9-11-25)19(27)24-18-6-4-17(5-7-18)23-15(3)26/h4-7,12,16H,8-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyJHCQMLHWQUVZKW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.91
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223264) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223264
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-13-12-14(2)22-20(21-13)25-10-8-16(9-11-25)19(27)24-18-6-4-17(5-7-18)23-15(3)26/h4-7,12,16H,8-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyJHCQMLHWQUVZKW-UHFFFAOYSA-N
XLogP2.91
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
[4-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]phenyl] thiocyanate
CID 108793930
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 108741161
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108805765
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
CID 108805793
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3224330
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 653435

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223264) is N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is JHCQMLHWQUVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-12-14(2)22-20(21-13)25-10-8-16(9-11-25)19(27)24-18-6-4-17(5-7-18)23-15(3)26/h4-7,12,16H,8-11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).