4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde

C17H24N4O2 — CID 108988584

IUPAC4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
SMILESCc1cccc(N2CCN(C(=O)N3CCN(C=O)CC3)CC2)c1
InChIInChI=1S/C17H24N4O2/c1-15-3-2-4-16(13-15)19-9-11-21(12-10-19)17(23)20-7-5-18(14-22)6-8-20/h2-4,13-14H,5-12H2,1H3
InChIKeyUFERVWOIOBJPHQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.01
Rot. Bonds2

About 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde

4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde (PubChem CID 108988584) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
PubChem CID108988584
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
SMILESCc1cccc(N2CCN(C(=O)N3CCN(C=O)CC3)CC2)c1
InChIInChI=1S/C17H24N4O2/c1-15-3-2-4-16(13-15)19-9-11-21(12-10-19)17(23)20-7-5-18(14-22)6-8-20/h2-4,13-14H,5-12H2,1H3
InChIKeyUFERVWOIOBJPHQ-UHFFFAOYSA-N
XLogP1.01
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055
4-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345744
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 57367851
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde (CID 108988584) is 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde is Cc1cccc(N2CCN(C(=O)N3CCN(C=O)CC3)CC2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is UFERVWOIOBJPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-15-3-2-4-16(13-15)19-9-11-21(12-10-19)17(23)20-7-5-18(14-22)6-8-20/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde?
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 316.40 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108988584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).