3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride

C13H29Cl2N3O — CID 120502610

IUPAC3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-11(12(2)14)13(17)15-7-6-10-16-8-4-3-5-9-16;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H
InChIKeyZWXYKAZAIJJEKH-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.81
Rot. Bonds6

About 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride

3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride (PubChem CID 120502610) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
PubChem CID120502610
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-11(12(2)14)13(17)15-7-6-10-16-8-4-3-5-9-16;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H
InChIKeyZWXYKAZAIJJEKH-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.81
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

(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
CID 62993392
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride (CID 120502610) is 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride is CC(N)C(C)C(=O)NCCCN1CCCCC1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
The InChIKey is ZWXYKAZAIJJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-11(12(2)14)13(17)15-7-6-10-16-8-4-3-5-9-16;;/h11-12H,3-10,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride?
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride is sourced from PubChem (CID 120502610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).