N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

C20H26N4O2 — CID 53189218

IUPACN-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1nccc(N2CCC(CC(=O)Nc3ccc(C)cc3C)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-4-5-17(15(2)12-14)22-19(25)13-16-7-10-24(11-8-16)18-6-9-21-20(23-18)26-3/h4-6,9,12,16H,7-8,10-11,13H2,1-3H3,(H,22,25)
InChIKeySSPSDRDCTTWVRA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.35
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 53189218) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID53189218
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCOc1nccc(N2CCC(CC(=O)Nc3ccc(C)cc3C)CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-4-5-17(15(2)12-14)22-19(25)13-16-7-10-24(11-8-16)18-6-9-21-20(23-18)26-3/h4-6,9,12,16H,7-8,10-11,13H2,1-3H3,(H,22,25)
InChIKeySSPSDRDCTTWVRA-UHFFFAOYSA-N
XLogP3.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189262
N-(2-ethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189238
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966673
ethyl 4-[2-(2,4-dimethylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897903
2-(1-cyclopropylpiperidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754837
(3S)-N-(2,4-dimethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069895
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (CID 53189218) is N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is COc1nccc(N2CCC(CC(=O)Nc3ccc(C)cc3C)CC2)n1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is SSPSDRDCTTWVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-4-5-17(15(2)12-14)22-19(25)13-16-7-10-24(11-8-16)18-6-9-21-20(23-18)26-3/h4-6,9,12,16H,7-8,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53189218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).