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

C15H32ClN3O — CID 119393526

IUPAC3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
SMILESCC(C)CC(C)CC(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-13(2)11-14(3)12-15(19)17-5-4-8-18-9-6-16-7-10-18;/h13-14,16H,4-12H2,1-3H3,(H,17,19);1H
InChIKeyHHKKAYUWVHWJMT-UHFFFAOYSA-N
MW305.89 g/mol
LogP1.89
Rot. Bonds8

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

3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride (PubChem CID 119393526) has the molecular formula C15H32ClN3O and a molecular weight of 305.89 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
PubChem CID119393526
Molecular FormulaC15H32ClN3O
Molecular Weight305.89 g/mol
Exact Mass305.22
IUPAC Name3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
SMILESCC(C)CC(C)CC(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-13(2)11-14(3)12-15(19)17-5-4-8-18-9-6-16-7-10-18;/h13-14,16H,4-12H2,1-3H3,(H,17,19);1H
InChIKeyHHKKAYUWVHWJMT-UHFFFAOYSA-N
XLogP1.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
LogP ≤ 51.89
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-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119392989
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
CID 169215012
3-phenyl-N-(3-piperazin-1-ylpropyl)pentanamide
CID 119394066

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride (CID 119393526) is 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride is CC(C)CC(C)CC(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride?
The InChIKey is HHKKAYUWVHWJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.ClH/c1-13(2)11-14(3)12-15(19)17-5-4-8-18-9-6-16-7-10-18;/h13-14,16H,4-12H2,1-3H3,(H,17,19);1H.
What are the key properties of 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride?
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride has a molecular weight of 305.89 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride is sourced from PubChem (CID 119393526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).