4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde

C14H19N3O2 — CID 108995952

IUPAC4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde
SMILESCc1ccc(NCC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-12-2-4-13(5-3-12)15-10-14(19)17-8-6-16(11-18)7-9-17/h2-5,11,15H,6-10H2,1H3
InChIKeyKASQWXMRWJHWEN-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.71
Rot. Bonds4

About 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde

4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde (PubChem CID 108995952) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde
PubChem CID108995952
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde
SMILESCc1ccc(NCC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-12-2-4-13(5-3-12)15-10-14(19)17-8-6-16(11-18)7-9-17/h2-5,11,15H,6-10H2,1H3
InChIKeyKASQWXMRWJHWEN-UHFFFAOYSA-N
XLogP0.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chloroanilino)acetyl]piperazine-1-carbaldehyde
CID 108995977
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
4-[2-(4-phenoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108996019
4-[2-(2,4-dimethylanilino)acetyl]piperazine-1-carbaldehyde
CID 108995956
4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetyl]piperazine-1-carbaldehyde
CID 108996028
2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4803568
4-[3-(4-propan-2-ylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017850
4-[2-(3,4,5-trimethoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108996033
4-[3-(3,4-dimethylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017841
N-(4-tert-butylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944764
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde (CID 108995952) is 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde is Cc1ccc(NCC(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde?
The InChIKey is KASQWXMRWJHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-12-2-4-13(5-3-12)15-10-14(19)17-8-6-16(11-18)7-9-17/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde?
4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde has a molecular weight of 261.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108995952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).