3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride

C12H27Cl2N3O — CID 119851496

IUPAC3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(C)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(13)8-12(16)14-11(2)9-15-6-4-3-5-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyJYYBUMAKJMNJMY-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.56
Rot. Bonds5

About 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride

3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride (PubChem CID 119851496) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
PubChem CID119851496
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC(C)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(13)8-12(16)14-11(2)9-15-6-4-3-5-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyJYYBUMAKJMNJMY-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119953137
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2-(1-hydroxycyclopentyl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
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2-amino-N-[2-oxo-2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]acetamide
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4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946
2-amino-3,3-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 76893128
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307575
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
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CID 81088313

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride (CID 119851496) is 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride is CC(N)CC(=O)NC(C)CN1CCCCC1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride?
The InChIKey is JYYBUMAKJMNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-10(13)8-12(16)14-11(2)9-15-6-4-3-5-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride?
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119851496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).