4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride

C16H35Cl2N3O — CID 119849813

IUPAC4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C(C)C)N1CCC(C)CC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-13(2)15(19-10-7-14(3)8-11-19)12-18-16(20)6-5-9-17-4;;/h13-15,17H,5-12H2,1-4H3,(H,18,20);2*1H
InChIKeyWHDNCOVCPCQXDX-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.70
Rot. Bonds8

About 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride

4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride (PubChem CID 119849813) has the molecular formula C16H35Cl2N3O and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
PubChem CID119849813
Molecular FormulaC16H35Cl2N3O
Molecular Weight356.38 g/mol
Exact Mass355.22
IUPAC Name4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C(C)C)N1CCC(C)CC1.Cl.Cl
InChIInChI=1S/C16H33N3O.2ClH/c1-13(2)15(19-10-7-14(3)8-11-19)12-18-16(20)6-5-9-17-4;;/h13-15,17H,5-12H2,1-4H3,(H,18,20);2*1H
InChIKeyWHDNCOVCPCQXDX-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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'}

Analyze 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
4-chloro-N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-4-oxobutyl]benzamide
CID 55657950
1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849849
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(methylamino)butanamide;dihydrochloride
CID 119841667
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119866531
4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119849872
4-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845148
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride (CID 119849813) is 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride is CNCCCC(=O)NCC(C(C)C)N1CCC(C)CC1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride?
The InChIKey is WHDNCOVCPCQXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.2ClH/c1-13(2)15(19-10-7-14(3)8-11-19)12-18-16(20)6-5-9-17-4;;/h13-15,17H,5-12H2,1-4H3,(H,18,20);2*1H.
What are the key properties of 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride?
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride has a molecular weight of 356.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride is sourced from PubChem (CID 119849813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).