1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C21H27N5O3 — CID 645539

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)n1
InChIInChI=1S/C21H27N5O3/c1-28-20-23-19(24-21(25-20)29-2)26-12-10-15(11-13-26)18(27)22-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3,(H,22,27)
InChIKeyUGJLUUQHQKOVJZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.62
Rot. Bonds5

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 645539) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID645539
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCOc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)n1
InChIInChI=1S/C21H27N5O3/c1-28-20-23-19(24-21(25-20)29-2)26-12-10-15(11-13-26)18(27)22-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3,(H,22,27)
InChIKeyUGJLUUQHQKOVJZ-UHFFFAOYSA-N
XLogP2.62
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362171
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid naphthalen-1-ylamide
CID 655932
1-({4-Amino-6-[(2,3-dimethylphenyl)amino]-1,3,5-triazin-2-yl}methyl)piperidine-4-carboxamide
CID 662939
1-(4,6-Dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 1234729
4-chloro-6-(morpholin-4-yl)-N-(naphthalen-1-yl)-1,3,5-triazin-2-amine
CID 699792
N2,N4-bis(2,3-dimethylphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine dihydrochloride
CID 16823472
N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide
CID 56624260
2-Methyl-1-[4-[3-[[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]piperazin-1-yl]propan-1-one
CID 58039848
1-[4-[3-[[[4-(2,2,2-Trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]methyl]phenyl]piperazin-1-yl]butan-1-one
CID 58039857
Cyclopropyl-[4-[4-ethoxy-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
CID 58039873
2-Cyclohexyl-1-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 58039922

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 645539) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is UGJLUUQHQKOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-28-20-23-19(24-21(25-20)29-2)26-12-10-15(11-13-26)18(27)22-17-9-5-7-14-6-3-4-8-16(14)17/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3,(H,22,27).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 645539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).