N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide

C13H27N3O — CID 64980597

IUPACN-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CC(C)NCC1C
InChIInChI=1S/C13H27N3O/c1-6-9(2)15-13(17)12(5)16-8-10(3)14-7-11(16)4/h9-12,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyRPAFRWWFIXXVDY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.97
Rot. Bonds4

About N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide

N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide (PubChem CID 64980597) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
PubChem CID64980597
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CC(C)NCC1C
InChIInChI=1S/C13H27N3O/c1-6-9(2)15-13(17)12(5)16-8-10(3)14-7-11(16)4/h9-12,14H,6-8H2,1-5H3,(H,15,17)
InChIKeyRPAFRWWFIXXVDY-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
CID 62671760
2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
CID 146529570
2-(2,5-dimethylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 64980370
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896
N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66209518
2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
CID 83048854
1-(1-cyclopropylbutan-2-yl)-2,5-dimethylpiperazine
CID 64936477
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721431
1-(1-cyclopropylpropyl)-2,5-dimethylpiperazine
CID 64979574
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
2-(2-acetylpiperidin-1-yl)-N-butan-2-ylpropanamide
CID 63844811
2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide
CID 64980257

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide (CID 64980597) is N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide is CCC(C)NC(=O)C(C)N1CC(C)NCC1C.
What is the InChIKey of N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide?
The InChIKey is RPAFRWWFIXXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-9(2)15-13(17)12(5)16-8-10(3)14-7-11(16)4/h9-12,14H,6-8H2,1-5H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide?
N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 64980597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).