N-butyl-2-methyl-2-piperazin-1-ylpropanamide

C12H25N3O — CID 80548594

IUPACN-butyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-4-5-6-14-11(16)12(2,3)15-9-7-13-8-10-15/h13H,4-10H2,1-3H3,(H,14,16)
InChIKeyPWOSNBVTAQBURA-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.59
Rot. Bonds5

About N-butyl-2-methyl-2-piperazin-1-ylpropanamide

N-butyl-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548594) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butyl-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548594
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butyl-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O/c1-4-5-6-14-11(16)12(2,3)15-9-7-13-8-10-15/h13H,4-10H2,1-3H3,(H,14,16)
InChIKeyPWOSNBVTAQBURA-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578
2-methyl-2-piperazin-1-yl-N-(3-sulfamoylpropyl)propanamide
CID 80549830
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
CID 80550020
(2S)-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]hexanoic acid
CID 107146916

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-butyl-2-methyl-2-piperazin-1-ylpropanamide (CID 80548594) is N-butyl-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-butyl-2-methyl-2-piperazin-1-ylpropanamide is CCCCNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is PWOSNBVTAQBURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-6-14-11(16)12(2,3)15-9-7-13-8-10-15/h13H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-2-methyl-2-piperazin-1-ylpropanamide?
N-butyl-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).