4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide

C14H19N3O2 — CID 4742190

IUPAC4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(N)=O)CC2)c(C)cc1C=O
InChIInChI=1S/C14H19N3O2/c1-10-8-13(11(2)7-12(10)9-18)16-3-5-17(6-4-16)14(15)19/h7-9H,3-6H2,1-2H3,(H2,15,19)
InChIKeyDDYXFOYLZJEUTQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.32
Rot. Bonds2

About 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide

4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 4742190) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID4742190
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(N)=O)CC2)c(C)cc1C=O
InChIInChI=1S/C14H19N3O2/c1-10-8-13(11(2)7-12(10)9-18)16-3-5-17(6-4-16)14(15)19/h7-9H,3-6H2,1-2H3,(H2,15,19)
InChIKeyDDYXFOYLZJEUTQ-UHFFFAOYSA-N
XLogP1.32
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide (CID 4742190) is 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(N)=O)CC2)c(C)cc1C=O.
What is the InChIKey of 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is DDYXFOYLZJEUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-8-13(11(2)7-12(10)9-18)16-3-5-17(6-4-16)14(15)19/h7-9H,3-6H2,1-2H3,(H2,15,19).
What are the key properties of 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide?
4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-2,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4742190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).