4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide

C18H23N5O — CID 23740362

IUPAC4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H23N5O/c1-13-10-15(3)16(11-14(13)2)21-18(24)23-8-6-22(7-9-23)17-12-19-4-5-20-17/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyPSZBXRRYOGBFOF-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.76
Rot. Bonds2

About 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide

4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 23740362) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
PubChem CID23740362
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H23N5O/c1-13-10-15(3)16(11-14(13)2)21-18(24)23-8-6-22(7-9-23)17-12-19-4-5-20-17/h4-5,10-12H,6-9H2,1-3H3,(H,21,24)
InChIKeyPSZBXRRYOGBFOF-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 56823906
N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 3737109
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
N-[(2R)-2-(dimethylamino)propyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 95133647
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
N-(5-fluoro-2-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167910
2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide
CID 18168283
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 136576917
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide (CID 23740362) is 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)c(NC(=O)N2CCN(c3cnccn3)CC2)cc1C.
What is the InChIKey of 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is PSZBXRRYOGBFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-10-15(3)16(11-14(13)2)21-18(24)23-8-6-22(7-9-23)17-12-19-4-5-20-17/h4-5,10-12H,6-9H2,1-3H3,(H,21,24).
What are the key properties of 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide?
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23740362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).