3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride

C11H21ClN2O3 — CID 71933075

IUPAC3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
SMILESCCC(=O)NC1CCCN(CCC(=O)O)C1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-2-10(14)12-9-4-3-6-13(8-9)7-5-11(15)16;/h9H,2-8H2,1H3,(H,12,14)(H,15,16);1H
InChIKeyPJWFFRKVENBZLX-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.87
Rot. Bonds5

About 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride

3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride (PubChem CID 71933075) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
PubChem CID71933075
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Name3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
SMILESCCC(=O)NC1CCCN(CCC(=O)O)C1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-2-10(14)12-9-4-3-6-13(8-9)7-5-11(15)16;/h9H,2-8H2,1H3,(H,12,14)(H,15,16);1H
InChIKeyPJWFFRKVENBZLX-UHFFFAOYSA-N
XLogP0.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
N-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-3-yl]propanamide
CID 120981335
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
[(3S)-1-propylpiperidin-3-yl]carbamic acid
CID 118936390
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
5-[(1-ethylpiperidin-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 61478336
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid
CID 175359647
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride (CID 71933075) is 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride is CCC(=O)NC1CCCN(CCC(=O)O)C1.Cl.
What is the InChIKey of 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride?
The InChIKey is PJWFFRKVENBZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-2-10(14)12-9-4-3-6-13(8-9)7-5-11(15)16;/h9H,2-8H2,1H3,(H,12,14)(H,15,16);1H.
What are the key properties of 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride?
3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 71933075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).