N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

C21H27N5O2 — CID 71786344

IUPACN'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-15(2)17-3-5-18(6-4-17)25-21(28)20(27)24-13-16-7-11-26(12-8-16)19-14-22-9-10-23-19/h3-6,9-10,14-16H,7-8,11-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPQPZJLDBTMVJHD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.57
Rot. Bonds5

About N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 71786344) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID71786344
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-15(2)17-3-5-18(6-4-17)25-21(28)20(27)24-13-16-7-11-26(12-8-16)19-14-22-9-10-23-19/h3-6,9-10,14-16H,7-8,11-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPQPZJLDBTMVJHD-UHFFFAOYSA-N
XLogP2.57
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide with MolForge

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Related Compounds

methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 91814160
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107855
N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107848
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
N'-(2-methoxy-5-methylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107842
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107876
N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107875

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (CID 71786344) is N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is PQPZJLDBTMVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(2)17-3-5-18(6-4-17)25-21(28)20(27)24-13-16-7-11-26(12-8-16)19-14-22-9-10-23-19/h3-6,9-10,14-16H,7-8,11-13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 381.48 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 71786344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).