1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone

C20H26N4O2 — CID 155981878

IUPAC1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1cnc(N(C)C2CCCN(C(=O)COc3ccccc3C)C2)nc1
InChIInChI=1S/C20H26N4O2/c1-15-11-21-20(22-12-15)23(3)17-8-6-10-24(13-17)19(25)14-26-18-9-5-4-7-16(18)2/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3
InChIKeySNUQPUBDASBJCV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.60
Rot. Bonds5

About 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone

1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone (PubChem CID 155981878) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
PubChem CID155981878
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1cnc(N(C)C2CCCN(C(=O)COc3ccccc3C)C2)nc1
InChIInChI=1S/C20H26N4O2/c1-15-11-21-20(22-12-15)23(3)17-8-6-10-24(13-17)19(25)14-26-18-9-5-4-7-16(18)2/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3
InChIKeySNUQPUBDASBJCV-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone with MolForge

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Related Compounds

1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 155981928
1-[3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-2-(2,3-dimethylphenoxy)ethanone
CID 56891228
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
1-[3-(4-fluorophenyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 90608788
2-[3-[(3S)-1-[2-(2-methylphenoxy)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126433535
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335249
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
2-(2-methylphenoxy)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798910
1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 70777917

Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone (CID 155981878) is 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone is Cc1cnc(N(C)C2CCCN(C(=O)COc3ccccc3C)C2)nc1.
What is the InChIKey of 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone?
The InChIKey is SNUQPUBDASBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-11-21-20(22-12-15)23(3)17-8-6-10-24(13-17)19(25)14-26-18-9-5-4-7-16(18)2/h4-5,7,9,11-12,17H,6,8,10,13-14H2,1-3H3.
What are the key properties of 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone?
1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 155981878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).