2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde

C18H26N4O2 — CID 174679409

IUPAC2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde
SMILESCN1CCN(c2ccc(C(=O)N3CCN(CC=O)CC3)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-19-6-10-21(11-7-19)17-4-2-16(3-5-17)18(24)22-12-8-20(9-13-22)14-15-23/h2-5,15H,6-14H2,1H3
InChIKeyYEERQTLQHYAWKB-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.40
Rot. Bonds4

About 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde

2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde (PubChem CID 174679409) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde
PubChem CID174679409
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde
SMILESCN1CCN(c2ccc(C(=O)N3CCN(CC=O)CC3)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-19-6-10-21(11-7-19)17-4-2-16(3-5-17)18(24)22-12-8-20(9-13-22)14-15-23/h2-5,15H,6-14H2,1H3
InChIKeyYEERQTLQHYAWKB-UHFFFAOYSA-N
XLogP0.40
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15949000
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 42164676
4-[4-(3-methylbut-2-enyl)piperazin-1-yl]benzamide
CID 56792247

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde (CID 174679409) is 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde is CN1CCN(c2ccc(C(=O)N3CCN(CC=O)CC3)cc2)CC1.
What is the InChIKey of 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde?
The InChIKey is YEERQTLQHYAWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-19-6-10-21(11-7-19)17-4-2-16(3-5-17)18(24)22-12-8-20(9-13-22)14-15-23/h2-5,15H,6-14H2,1H3.
What are the key properties of 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde?
2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde has a molecular weight of 330.43 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 174679409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).