7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride

C17H37Cl2N3O — CID 119851231

IUPAC7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
SMILESCC1CC(C)CN(CCCNC(=O)CCCCCCN)C1.Cl.Cl
InChIInChI=1S/C17H35N3O.2ClH/c1-15-12-16(2)14-20(13-15)11-7-10-19-17(21)8-5-3-4-6-9-18;;/h15-16H,3-14,18H2,1-2H3,(H,19,21);2*1H
InChIKeyQOXRLZJTGITOPQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.22
Rot. Bonds10

About 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride

7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride (PubChem CID 119851231) has the molecular formula C17H37Cl2N3O and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
PubChem CID119851231
Molecular FormulaC17H37Cl2N3O
Molecular Weight370.41 g/mol
Exact Mass369.23
IUPAC Name7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
SMILESCC1CC(C)CN(CCCNC(=O)CCCCCCN)C1.Cl.Cl
InChIInChI=1S/C17H35N3O.2ClH/c1-15-12-16(2)14-20(13-15)11-7-10-19-17(21)8-5-3-4-6-9-18;;/h15-16H,3-14,18H2,1-2H3,(H,19,21);2*1H
InChIKeyQOXRLZJTGITOPQ-UHFFFAOYSA-N
XLogP3.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.22
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

7-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]heptanamide;dihydrochloride
CID 119840980
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-fluorophenyl)propanamide
CID 47041716
7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331881
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride (CID 119851231) is 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride is CC1CC(C)CN(CCCNC(=O)CCCCCCN)C1.Cl.Cl.
What is the InChIKey of 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
The InChIKey is QOXRLZJTGITOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O.2ClH/c1-15-12-16(2)14-20(13-15)11-7-10-19-17(21)8-5-3-4-6-9-18;;/h15-16H,3-14,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride has a molecular weight of 370.41 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119851231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).