N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide

C12H25N3O — CID 80548261

IUPACN-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-5-10(2)14-11(16)12(3,4)15-8-6-13-7-9-15/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyXDLTTYNYVHTDMG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds4

About N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide

N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548261) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548261
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-5-10(2)14-11(16)12(3,4)15-8-6-13-7-9-15/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyXDLTTYNYVHTDMG-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548456
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551216
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 103810737
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
(2S)-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]hexanoic acid
CID 107146916
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81352101
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide (CID 80548261) is N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide is CCC(C)NC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is XDLTTYNYVHTDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-10(2)14-11(16)12(3,4)15-8-6-13-7-9-15/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide?
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 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-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).