1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

C24H28N6O2 — CID 56507902

IUPAC1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)c2C)c1
InChIInChI=1S/C24H28N6O2/c1-16-5-3-7-21(13-16)30-17(2)22(27-28-30)24(32)26-20-10-8-18(9-11-20)14-29-12-4-6-19(15-29)23(25)31/h3,5,7-11,13,19H,4,6,12,14-15H2,1-2H3,(H2,25,31)(H,26,32)
InChIKeyBZRZFKGTMGSPEO-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.83
Rot. Bonds6

About 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56507902) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56507902
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)c2C)c1
InChIInChI=1S/C24H28N6O2/c1-16-5-3-7-21(13-16)30-17(2)22(27-28-30)24(32)26-20-10-8-18(9-11-20)14-29-12-4-6-19(15-29)23(25)31/h3,5,7-11,13,19H,4,6,12,14-15H2,1-2H3,(H2,25,31)(H,26,32)
InChIKeyBZRZFKGTMGSPEO-UHFFFAOYSA-N
XLogP2.83
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

5-methyl-1-(3-methylphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]triazole-4-carboxamide
CID 55912526
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
5-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55846970
5-methyl-1-(3-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)triazole-4-carboxamide
CID 55886109
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507133
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86887849

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 56507902) is 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)c2C)c1.
What is the InChIKey of 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BZRZFKGTMGSPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16-5-3-7-21(13-16)30-17(2)22(27-28-30)24(32)26-20-10-8-18(9-11-20)14-29-12-4-6-19(15-29)23(25)31/h3,5,7-11,13,19H,4,6,12,14-15H2,1-2H3,(H2,25,31)(H,26,32).
What are the key properties of 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56507902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).