3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C13H26ClN3O3 — CID 120579366

IUPAC3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCOC(C)C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-10(19-2)13(18)16-8-4-3-5-11(16)9-15-12(17)6-7-14;/h10-11H,3-9,14H2,1-2H3,(H,15,17);1H
InChIKeyFRIOMWDMMCCYJE-UHFFFAOYSA-N
MW307.82 g/mol
LogP0.29
Rot. Bonds6

About 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579366) has the molecular formula C13H26ClN3O3 and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579366
Molecular FormulaC13H26ClN3O3
Molecular Weight307.82 g/mol
Exact Mass307.17
IUPAC Name3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCOC(C)C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C13H25N3O3.ClH/c1-10(19-2)13(18)16-8-4-3-5-11(16)9-15-12(17)6-7-14;/h10-11H,3-9,14H2,1-2H3,(H,15,17);1H
InChIKeyFRIOMWDMMCCYJE-UHFFFAOYSA-N
XLogP0.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
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3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
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3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578975
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120580308
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579366) is 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is COC(C)C(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is FRIOMWDMMCCYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3.ClH/c1-10(19-2)13(18)16-8-4-3-5-11(16)9-15-12(17)6-7-14;/h10-11H,3-9,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).