2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide

C22H30N6O5 — CID 6490077

IUPAC2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1
InChIInChI=1S/C22H30N6O5/c1-14(29)23-18(13-15-5-7-17(31-2)8-6-15)19(30)24-16-9-11-28(12-10-16)20-25-21(32-3)27-22(26-20)33-4/h5-8,16,18H,9-13H2,1-4H3,(H,23,29)(H,24,30)
InChIKeyNOIUJDRPUNHAPP-UHFFFAOYSA-N
MW458.52 g/mol
LogP0.73
Rot. Bonds9

About 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide

2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 6490077) has the molecular formula C22H30N6O5 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID6490077
Molecular FormulaC22H30N6O5
Molecular Weight458.52 g/mol
Exact Mass458.23
IUPAC Name2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1
InChIInChI=1S/C22H30N6O5/c1-14(29)23-18(13-15-5-7-17(31-2)8-6-15)19(30)24-16-9-11-28(12-10-16)20-25-21(32-3)27-22(26-20)33-4/h5-8,16,18H,9-13H2,1-4H3,(H,23,29)(H,24,30)
InChIKeyNOIUJDRPUNHAPP-UHFFFAOYSA-N
XLogP0.73
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-Acetylamino-3-(4-methoxy-phenyl)-propionyl]-piperazine-1-carboxylic acid diisopropylamide
CID 645981
4-[2-Acetylamino-3-(4-methoxy-phenyl)-propionylamino]-piperidine-1-carboxylic acid benzylamide
CID 655415
2-Acetylamino-3-(3,5-dimethoxy-phenyl)-N-[1-(4,6-dimethoxy-[1,3,5]triazin-2-yl)-piperidin-4-yl]-propionamide
CID 3232488
2-Acetylamino-3-(2,3-dimethoxy-phenyl)-N-[1-(4,6-dimethoxy-[1,3,5]triazin-2-yl)-piperidin-4-yl]-propionamide
CID 3231811
1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid 4-methoxy-benzylamide
CID 3222665
methyl (2S)-2-amino-3-[4-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]phenyl]propanoate
CID 156015060
methyl (2S)-2-amino-3-[4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]phenyl]propanoate
CID 156020867
2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
CID 3231810
(2R)-2-[[amino-[[2-(4-methoxyphenyl)acetyl]amino]methylidene]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 90286643
N-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}-2-(2-methoxyphenyl)acetamide
CID 121137880
4-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-6-N-heptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 69484721
4-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 69936125

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide (CID 6490077) is 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1.
What is the InChIKey of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is NOIUJDRPUNHAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O5/c1-14(29)23-18(13-15-5-7-17(31-2)8-6-15)19(30)24-16-9-11-28(12-10-16)20-25-21(32-3)27-22(26-20)33-4/h5-8,16,18H,9-13H2,1-4H3,(H,23,29)(H,24,30).
What are the key properties of 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 458.52 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 6490077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).