1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide

C21H23N7O — CID 1234729

IUPAC1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C21H23N7O/c22-18(29)15-11-13-28(14-12-15)21-26-19(23-16-7-3-1-4-8-16)25-20(27-21)24-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,22,29)(H2,23,24,25,26,27)
InChIKeyUKGVHYOLQWNWPM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.06
Rot. Bonds6

About 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide

1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 1234729) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID1234729
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C21H23N7O/c22-18(29)15-11-13-28(14-12-15)21-26-19(23-16-7-3-1-4-8-16)25-20(27-21)24-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,22,29)(H2,23,24,25,26,27)
InChIKeyUKGVHYOLQWNWPM-UHFFFAOYSA-N
XLogP3.06
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
[1,3,5]Triazine-2,4-diamine, N,N-diphenyl-6-(piperidin-1-yl)-
CID 712288
N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45136898
N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 647714
(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid naphthalen-1-ylamide
CID 655932
N,N'-diphenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 819949
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-4-carboxylic acid (4-fluoro-phenyl)-amide
CID 645270
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 645539
N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 648479
N-phenyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 744464
N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 2969869

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 1234729) is 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1.
What is the InChIKey of 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is UKGVHYOLQWNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c22-18(29)15-11-13-28(14-12-15)21-26-19(23-16-7-3-1-4-8-16)25-20(27-21)24-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,22,29)(H2,23,24,25,26,27).
What are the key properties of 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dianilino-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 1234729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).