[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C22H29N5O2 — CID 109276257

IUPAC[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCOCCCNc1cnc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N5O2/c1-29-16-6-10-23-21-18-24-20(17-25-21)22(28)27-14-12-26(13-15-27)11-5-9-19-7-3-2-4-8-19/h2-5,7-9,17-18H,6,10-16H2,1H3,(H,23,25)/b9-5+
InChIKeyALHMCRKMPNLJOE-WEVVVXLNSA-N
MW395.51 g/mol
LogP2.40
Rot. Bonds9

About [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 109276257) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID109276257
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCOCCCNc1cnc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cn1
InChIInChI=1S/C22H29N5O2/c1-29-16-6-10-23-21-18-24-20(17-25-21)22(28)27-14-12-26(13-15-27)11-5-9-19-7-3-2-4-8-19/h2-5,7-9,17-18H,6,10-16H2,1H3,(H,23,25)/b9-5+
InChIKeyALHMCRKMPNLJOE-WEVVVXLNSA-N
XLogP2.40
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.40
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

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272208
[6-(2-methoxyethylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109342793
[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109323543
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109361609
[2-(butylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109296370
(5-amino-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854674
[6-(2-methylpropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109151821
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278771
N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 113160057
[6-methyl-2-(propylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109318929
(2-methylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55854973

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 109276257) is [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is COCCCNc1cnc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cn1.
What is the InChIKey of [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is ALHMCRKMPNLJOE-WEVVVXLNSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-29-16-6-10-23-21-18-24-20(17-25-21)22(28)27-14-12-26(13-15-27)11-5-9-19-7-3-2-4-8-19/h2-5,7-9,17-18H,6,10-16H2,1H3,(H,23,25)/b9-5+.
What are the key properties of [5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[5-(3-methoxypropylamino)pyrazin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 2.40, 9 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-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109276257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).