(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide

C18H24N6O2 — CID 125008674

IUPAC(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
SMILESCc1nc(C)n(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C18H24N6O2/c1-13-20-14(2)24(21-13)12-17(25)23-9-8-22(16(11-23)18(19)26)10-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H2,19,26)/t16-/m1/s1
InChIKeyUWUABVZIBFZHNY-MRXNPFEDSA-N
MW356.43 g/mol
LogP0.09
Rot. Bonds5

About (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide

(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide (PubChem CID 125008674) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
PubChem CID125008674
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
SMILESCc1nc(C)n(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)n1
InChIInChI=1S/C18H24N6O2/c1-13-20-14(2)24(21-13)12-17(25)23-9-8-22(16(11-23)18(19)26)10-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H2,19,26)/t16-/m1/s1
InChIKeyUWUABVZIBFZHNY-MRXNPFEDSA-N
XLogP0.09
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456
4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110085990
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
CID 110086608
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744688
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide
CID 124958127
(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 124948614

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide (CID 125008674) is (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide is Cc1nc(C)n(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)n1.
What is the InChIKey of (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is UWUABVZIBFZHNY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-20-14(2)24(21-13)12-17(25)23-9-8-22(16(11-23)18(19)26)10-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H2,19,26)/t16-/m1/s1.
What are the key properties of (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide?
(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 125008674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).