2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide

C13H27N3O — CID 55103201

IUPAC2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
SMILESCCC(C)(C)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-4-13(2,3)12(17)15-6-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyRSSCFNUADSNWTL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide

2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide (PubChem CID 55103201) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
PubChem CID55103201
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
SMILESCCC(C)(C)C(=O)NCCCN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-4-13(2,3)12(17)15-6-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyRSSCFNUADSNWTL-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
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

2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291
3-methyl-3-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 64700080
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
CID 119831283

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide (CID 55103201) is 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide is CCC(C)(C)C(=O)NCCCN1CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide?
The InChIKey is RSSCFNUADSNWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-13(2,3)12(17)15-6-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide?
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide is sourced from PubChem (CID 55103201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).