N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride

C11H22ClN3O2 — CID 119310713

IUPACN-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride
SMILESCCC(=O)NC1CCCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-3-10(15)13-9-5-4-6-14(7-9)11(16)8(2)12;/h8-9H,3-7,12H2,1-2H3,(H,13,15);1H/t8-,9?;/m1./s1
InChIKeyQKSOIVDZQVLZFN-URIXSHMWSA-N
MW263.77 g/mol
LogP0.27
Rot. Bonds3

About N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride

N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride (PubChem CID 119310713) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride
PubChem CID119310713
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC NameN-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride
SMILESCCC(=O)NC1CCCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-3-10(15)13-9-5-4-6-14(7-9)11(16)8(2)12;/h8-9H,3-7,12H2,1-2H3,(H,13,15);1H/t8-,9?;/m1./s1
InChIKeyQKSOIVDZQVLZFN-URIXSHMWSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
CID 120790917
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761704
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
CID 77143696
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride?
The IUPAC name of N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride (CID 119310713) is N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride is CCC(=O)NC1CCCN(C(=O)[C@@H](C)N)C1.Cl.
What is the InChIKey of N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride?
The InChIKey is QKSOIVDZQVLZFN-URIXSHMWSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-3-10(15)13-9-5-4-6-14(7-9)11(16)8(2)12;/h8-9H,3-7,12H2,1-2H3,(H,13,15);1H/t8-,9?;/m1./s1.
What are the key properties of N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride?
N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 119310713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).