3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide

C15H24N4O — CID 121109026

IUPAC3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)9-15(20)18-10-13-3-7-19(8-4-13)14-11-16-5-6-17-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyDIQYWWNTZRZALN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.86
Rot. Bonds5

About 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide

3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide (PubChem CID 121109026) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
PubChem CID121109026
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)9-15(20)18-10-13-3-7-19(8-4-13)14-11-16-5-6-17-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyDIQYWWNTZRZALN-UHFFFAOYSA-N
XLogP1.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107848
1-[(3aS,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 125222291
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550
methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide (CID 121109026) is 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide is CC(C)CC(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide?
The InChIKey is DIQYWWNTZRZALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)9-15(20)18-10-13-3-7-19(8-4-13)14-11-16-5-6-17-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide?
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 121109026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).