4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

C19H23N5O2 — CID 109278771

IUPAC4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cnc(NCCCc3ccccc3)cn2)CC1
InChIInChI=1S/C19H23N5O2/c25-15-23-9-11-24(12-10-23)19(26)17-13-22-18(14-21-17)20-8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,20,22)
InChIKeyRFVUWIBBAABZMX-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.44
Rot. Bonds7

About 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109278771) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109278771
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cnc(NCCCc3ccccc3)cn2)CC1
InChIInChI=1S/C19H23N5O2/c25-15-23-9-11-24(12-10-23)19(26)17-13-22-18(14-21-17)20-8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,20,22)
InChIKeyRFVUWIBBAABZMX-UHFFFAOYSA-N
XLogP1.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367609
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168852
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109272937
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone
CID 109277312
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
4-[5-(2,6-difluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278873

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (CID 109278771) is 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2cnc(NCCCc3ccccc3)cn2)CC1.
What is the InChIKey of 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is RFVUWIBBAABZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-15-23-9-11-24(12-10-23)19(26)17-13-22-18(14-21-17)20-8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,20,22).
What are the key properties of 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 353.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109278771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).