4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C19H24N4O — CID 113108721

IUPAC4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccncc3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O/c1-15-3-4-18(16(2)13-15)22-9-11-23(12-10-22)19(24)21-14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)
InChIKeyUIANYEWIOVDWDL-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.73
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108721) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID113108721
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccncc3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O/c1-15-3-4-18(16(2)13-15)22-9-11-23(12-10-22)19(24)21-14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)
InChIKeyUIANYEWIOVDWDL-UHFFFAOYSA-N
XLogP2.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-Isoquinolin-5-yl-3-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}urea
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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 113108721) is 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NCc3ccncc3)CC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is UIANYEWIOVDWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-3-4-18(16(2)13-15)22-9-11-23(12-10-22)19(24)21-14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24).
What are the key properties of 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).