5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide

C15H31N3O — CID 119394555

IUPAC5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
SMILESCC(C)(C)CCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)7-4-6-14(19)17-8-5-11-18-12-9-16-10-13-18/h16H,4-13H2,1-3H3,(H,17,19)
InChIKeySYYFDUPDGSFBGT-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds7

About 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide

5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide (PubChem CID 119394555) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide.

Molecular Properties

Compound Name5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
PubChem CID119394555
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
SMILESCC(C)(C)CCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)7-4-6-14(19)17-8-5-11-18-12-9-16-10-13-18/h16H,4-13H2,1-3H3,(H,17,19)
InChIKeySYYFDUPDGSFBGT-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
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-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
CID 115178486
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
N-(3-methoxypropyl)-3-piperazin-1-ylpropanamide
CID 28807760

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide?
The IUPAC name of 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide (CID 119394555) is 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide.
What is the SMILES notation for 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide?
The canonical SMILES for 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide is CC(C)(C)CCCC(=O)NCCCN1CCNCC1.
What is the InChIKey of 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide?
The InChIKey is SYYFDUPDGSFBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,3)7-4-6-14(19)17-8-5-11-18-12-9-16-10-13-18/h16H,4-13H2,1-3H3,(H,17,19).
What are the key properties of 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide?
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide is sourced from PubChem (CID 119394555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).