N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide

C18H28N4O3 — CID 42782929

IUPACN-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)N1CCCCC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C18H28N4O3/c1-15-13-20-16(14-19-15)18(24)22(10-6-12-25-2)11-7-17(23)21-8-4-3-5-9-21/h13-14H,3-12H2,1-2H3
InChIKeyYWUKQJXILGNATC-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.67
Rot. Bonds8

About N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide

N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide (PubChem CID 42782929) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
PubChem CID42782929
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)N1CCCCC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C18H28N4O3/c1-15-13-20-16(14-19-15)18(24)22(10-6-12-25-2)11-7-17(23)21-8-4-3-5-9-21/h13-14H,3-12H2,1-2H3
InChIKeyYWUKQJXILGNATC-UHFFFAOYSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 5127582
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
N-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 4642783
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
CID 4182971
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253080
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 4302470
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 3425328
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide (CID 42782929) is N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide is COCCCN(CCC(=O)N1CCCCC1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
The InChIKey is YWUKQJXILGNATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-15-13-20-16(14-19-15)18(24)22(10-6-12-25-2)11-7-17(23)21-8-4-3-5-9-21/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide?
N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42782929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).