2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide

C22H28N4O3 — CID 110083315

IUPAC2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc(C2CCCN(C(=O)c3ccccc3OC)C2)nc1C
InChIInChI=1S/C22H28N4O3/c1-14-18(12-20(27)23-3)15(2)25-21(24-14)16-8-7-11-26(13-16)22(28)17-9-5-6-10-19(17)29-4/h5-6,9-10,16H,7-8,11-13H2,1-4H3,(H,23,27)
InChIKeyVHIUGMBNJHXPPM-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide

2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide (PubChem CID 110083315) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
PubChem CID110083315
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc(C2CCCN(C(=O)c3ccccc3OC)C2)nc1C
InChIInChI=1S/C22H28N4O3/c1-14-18(12-20(27)23-3)15(2)25-21(24-14)16-8-7-11-26(13-16)22(28)17-9-5-6-10-19(17)29-4/h5-6,9-10,16H,7-8,11-13H2,1-4H3,(H,23,27)
InChIKeyVHIUGMBNJHXPPM-UHFFFAOYSA-N
XLogP2.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3S)-1-(2,3-dimethoxybenzoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124980068
2-[2-[1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
CID 110083324
2-[2-[(3S)-1-(2-ethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
CID 125008595
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312
2-[2-[1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083301
2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 124997788
2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 110083293
2-[2-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124971971
2-[2-[(3S)-1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-ethylacetamide
CID 125008205
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide (CID 110083315) is 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide is CNC(=O)Cc1c(C)nc(C2CCCN(C(=O)c3ccccc3OC)C2)nc1C.
What is the InChIKey of 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide?
The InChIKey is VHIUGMBNJHXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-18(12-20(27)23-3)15(2)25-21(24-14)16-8-7-11-26(13-16)22(28)17-9-5-6-10-19(17)29-4/h5-6,9-10,16H,7-8,11-13H2,1-4H3,(H,23,27).
What are the key properties of 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide?
2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide has a molecular weight of 396.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 110083315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).