N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride

C16H35Cl2N3O — CID 119863420

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-13-9-14(2)11-19(10-13)16(3,4)12-18-15(20)7-6-8-17-5;;/h13-14,17H,6-12H2,1-5H3,(H,18,20);2*1H
InChIKeyYDDQFOFVPLRRLG-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119863420) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119863420
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-13-9-14(2)11-19(10-13)16(3,4)12-18-15(20)7-6-8-17-5;;/h13-14,17H,6-12H2,1-5H3,(H,18,20);2*1H
InChIKeyYDDQFOFVPLRRLG-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.70
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

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N',N'-dipropylpentanediamide
CID 56552369
1-(3,5-dimethylpiperidin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119671954
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119863471
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119863449
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide
CID 60568950
3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863426
N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119822011
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
1-(2-ethyl-4-methylpyrrolidin-1-yl)-4-(methylamino)butan-1-one
CID 119791886
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 86831252

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride (CID 119863420) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)NCC(C)(C)N1CC(C)CC(C)C1.Cl.Cl.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is YDDQFOFVPLRRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-13-9-14(2)11-19(10-13)16(3,4)12-18-15(20)7-6-8-17-5;;/h13-14,17H,6-12H2,1-5H3,(H,18,20);2*1H.
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119863420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).