4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde

C18H26N4O3 — CID 108995948

IUPAC4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(N2CCN(CC(=O)N3CCN(C=O)CC3)CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-25-17-4-2-16(3-5-17)21-10-6-19(7-11-21)14-18(24)22-12-8-20(15-23)9-13-22/h2-5,15H,6-14H2,1H3
InChIKeyCHXJBONKGNIGMU-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.12
Rot. Bonds5

About 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde

4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde (PubChem CID 108995948) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
PubChem CID108995948
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(N2CCN(CC(=O)N3CCN(C=O)CC3)CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-25-17-4-2-16(3-5-17)21-10-6-19(7-11-21)14-18(24)22-12-8-20(15-23)9-13-22/h2-5,15H,6-14H2,1H3
InChIKeyCHXJBONKGNIGMU-UHFFFAOYSA-N
XLogP0.12
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 34932262
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33104690
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde (CID 108995948) is 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde is COc1ccc(N2CCN(CC(=O)N3CCN(C=O)CC3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde?
The InChIKey is CHXJBONKGNIGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-17-4-2-16(3-5-17)21-10-6-19(7-11-21)14-18(24)22-12-8-20(15-23)9-13-22/h2-5,15H,6-14H2,1H3.
What are the key properties of 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde?
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde has a molecular weight of 346.43 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108995948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).