4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride

C12H27Cl2N3O — CID 119836634

IUPAC4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-13-7-5-6-12(16)14-8-11-15-9-3-2-4-10-15;;/h13H,2-11H2,1H3,(H,14,16);2*1H
InChIKeyFBPHYVQERMVUOJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.43
Rot. Bonds7

About 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride

4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride (PubChem CID 119836634) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
PubChem CID119836634
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-13-7-5-6-12(16)14-8-11-15-9-3-2-4-10-15;;/h13H,2-11H2,1H3,(H,14,16);2*1H
InChIKeyFBPHYVQERMVUOJ-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.43
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-piperidin-1-ylethyl)pentanamide
CID 70962894
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119895410
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride (CID 119836634) is 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride is CNCCCC(=O)NCCN1CCCCC1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride?
The InChIKey is FBPHYVQERMVUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-13-7-5-6-12(16)14-8-11-15-9-3-2-4-10-15;;/h13H,2-11H2,1H3,(H,14,16);2*1H.
What are the key properties of 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride?
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride is sourced from PubChem (CID 119836634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).