7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride

C16H35Cl2N3O — CID 119866531

IUPAC7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
SMILESCC1CCN(C(C)CNC(=O)CCCCCCN)CC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-14-8-11-19(12-9-14)15(2)13-18-16(20)7-5-3-4-6-10-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H
InChIKeyHGOPSGVOQHIASV-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.98
Rot. Bonds9

About 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride

7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride (PubChem CID 119866531) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
PubChem CID119866531
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC Name7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
SMILESCC1CCN(C(C)CNC(=O)CCCCCCN)CC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-14-8-11-19(12-9-14)15(2)13-18-16(20)7-5-3-4-6-10-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H
InChIKeyHGOPSGVOQHIASV-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.98
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-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride
CID 119902835
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813
2-(2-methoxyethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide;dihydrochloride
CID 119866597
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride (CID 119866531) is 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride is CC1CCN(C(C)CNC(=O)CCCCCCN)CC1.Cl.Cl.
What is the InChIKey of 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
The InChIKey is HGOPSGVOQHIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-14-8-11-19(12-9-14)15(2)13-18-16(20)7-5-3-4-6-10-17;;/h14-15H,3-13,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride?
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119866531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).