N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

C12H19N5O — CID 154467399

IUPACN-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
SMILESCCCC(=O)NN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-4-11(18)15-17-9-7-16(8-10-17)12-13-5-3-6-14-12/h3,5-6H,2,4,7-10H2,1H3,(H,15,18)
InChIKeyYNTRZBCYGJIXIL-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.43
Rot. Bonds4

About N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide (PubChem CID 154467399) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
PubChem CID154467399
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
SMILESCCCC(=O)NN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-4-11(18)15-17-9-7-16(8-10-17)12-13-5-3-6-14-12/h3,5-6H,2,4,7-10H2,1H3,(H,15,18)
InChIKeyYNTRZBCYGJIXIL-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108940649
N-[4-[[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]methyl]phenyl]butanamide
CID 111207226
N-(azepan-1-yl)butanamide
CID 67379865
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
2-(butylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108993062

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide (CID 154467399) is N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide is CCCC(=O)NN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is YNTRZBCYGJIXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-4-11(18)15-17-9-7-16(8-10-17)12-13-5-3-6-14-12/h3,5-6H,2,4,7-10H2,1H3,(H,15,18).
What are the key properties of N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 249.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 154467399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).