3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide

C20H27N5O — CID 72900246

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NCc3cnc(C)cn3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-16-4-3-5-19(12-16)25-10-8-24(9-11-25)7-6-20(26)23-15-18-14-21-17(2)13-22-18/h3-5,12-14H,6-11,15H2,1-2H3,(H,23,26)
InChIKeyWIZFNRXBTCZGTI-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.92
Rot. Bonds6

About 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide

3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide (PubChem CID 72900246) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide
PubChem CID72900246
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)NCc3cnc(C)cn3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-16-4-3-5-19(12-16)25-10-8-24(9-11-25)7-6-20(26)23-15-18-14-21-17(2)13-22-18/h3-5,12-14H,6-11,15H2,1-2H3,(H,23,26)
InChIKeyWIZFNRXBTCZGTI-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide (CID 72900246) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide is Cc1cccc(N2CCN(CCC(=O)NCc3cnc(C)cn3)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
The InChIKey is WIZFNRXBTCZGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16-4-3-5-19(12-16)25-10-8-24(9-11-25)7-6-20(26)23-15-18-14-21-17(2)13-22-18/h3-5,12-14H,6-11,15H2,1-2H3,(H,23,26).
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide?
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 72900246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).