[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C19H25N5O2 — CID 109276242

IUPAC[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOCCCNc1cnc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-26-13-5-8-20-18-15-21-17(14-22-18)19(25)24-11-9-23(10-12-24)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,20,22)
InChIKeyHHAJMBSBXMKTSQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.89
Rot. Bonds7

About [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109276242) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109276242
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOCCCNc1cnc(C(=O)N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-26-13-5-8-20-18-15-21-17(14-22-18)19(25)24-11-9-23(10-12-24)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,20,22)
InChIKeyHHAJMBSBXMKTSQ-UHFFFAOYSA-N
XLogP1.89
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109276257
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114135
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365027
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278771
[6-(3-methoxypropylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109153147

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109276242) is [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone is COCCCNc1cnc(C(=O)N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HHAJMBSBXMKTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-13-5-8-20-18-15-21-17(14-22-18)19(25)24-11-9-23(10-12-24)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,20,22).
What are the key properties of [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109276242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).