4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide

C21H27N5O2 — CID 72941426

IUPAC4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C21H27N5O2/c1-15(2)14-28-19-8-6-5-7-18(19)24-21(27)26-11-9-25(10-12-26)20-17(4)22-13-16(3)23-20/h5-8,13H,1,9-12,14H2,2-4H3,(H,24,27)
InChIKeyFVUGBOYAKKFFAK-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.40
Rot. Bonds5

About 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide

4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide (PubChem CID 72941426) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide
PubChem CID72941426
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C21H27N5O2/c1-15(2)14-28-19-8-6-5-7-18(19)24-21(27)26-11-9-25(10-12-26)20-17(4)22-13-16(3)23-20/h5-8,13H,1,9-12,14H2,2-4H3,(H,24,27)
InChIKeyFVUGBOYAKKFFAK-UHFFFAOYSA-N
XLogP3.40
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
CID 118792595
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
CID 97455589
(3S)-3-(dimethylamino)-N-[2-(2-methylprop-2-enoxy)phenyl]pyrrolidine-1-carboxamide
CID 97438370
4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 72933823
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 131918480
N-(2-ethoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 56921511
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
2-[[2-(2-methylprop-2-enoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17113215

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide (CID 72941426) is 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide is C=C(C)COc1ccccc1NC(=O)N1CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is FVUGBOYAKKFFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(2)14-28-19-8-6-5-7-18(19)24-21(27)26-11-9-25(10-12-26)20-17(4)22-13-16(3)23-20/h5-8,13H,1,9-12,14H2,2-4H3,(H,24,27).
What are the key properties of 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide?
4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 72941426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).