N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

C20H27N5O — CID 42891215

IUPACN-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C(NC(=O)CN1CCN(c2cnccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-16(2)20(17-6-4-3-5-7-17)23-19(26)15-24-10-12-25(13-11-24)18-14-21-8-9-22-18/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyBNUHEFVBEYXTKV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.11
Rot. Bonds6

About N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (PubChem CID 42891215) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
PubChem CID42891215
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C(NC(=O)CN1CCN(c2cnccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O/c1-16(2)20(17-6-4-3-5-7-17)23-19(26)15-24-10-12-25(13-11-24)18-14-21-8-9-22-18/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyBNUHEFVBEYXTKV-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 35015530
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
N-(2-methyl-1-pyridin-3-ylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118773371
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 125164687
N-[(1R)-2-methyl-1-phenylpropyl]-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 52763089
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 18146902
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167957
ethyl 4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 46665939
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167877
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (CID 42891215) is N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is CC(C)C(NC(=O)CN1CCN(c2cnccn2)CC1)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is BNUHEFVBEYXTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16(2)20(17-6-4-3-5-7-17)23-19(26)15-24-10-12-25(13-11-24)18-14-21-8-9-22-18/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 42891215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).