3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

C13H28ClN3O — CID 119391133

IUPAC3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-13(2,3)11-12(17)15-5-4-8-16-9-6-14-7-10-16;/h14H,4-11H2,1-3H3,(H,15,17);1H
InChIKeySXJUKUBLERXIJY-UHFFFAOYSA-N
MW277.84 g/mol
LogP1.26
Rot. Bonds5

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

3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119391133) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID119391133
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC Name3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)(C)CC(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-13(2,3)11-12(17)15-5-4-8-16-9-6-14-7-10-16;/h14H,4-11H2,1-3H3,(H,15,17);1H
InChIKeySXJUKUBLERXIJY-UHFFFAOYSA-N
XLogP1.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 51.26
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

3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
3-methyl-3-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 64700080
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
CID 115178486
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 119391133) is 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is CC(C)(C)CC(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is SXJUKUBLERXIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-13(2,3)11-12(17)15-5-4-8-16-9-6-14-7-10-16;/h14H,4-11H2,1-3H3,(H,15,17);1H.
What are the key properties of 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119391133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).