3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid

C11H20N2O2 — CID 79896585

IUPAC3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid
SMILESCCCN(C=CC(=O)O)C1CCNCC1
InChIInChI=1S/C11H20N2O2/c1-2-8-13(9-5-11(14)15)10-3-6-12-7-4-10/h5,9-10,12H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyYENXGTXXVSYHRM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.05
Rot. Bonds5

About 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid

3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid (PubChem CID 79896585) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid.

Molecular Properties

Compound Name3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid
PubChem CID79896585
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid
SMILESCCCN(C=CC(=O)O)C1CCNCC1
InChIInChI=1S/C11H20N2O2/c1-2-8-13(9-5-11(14)15)10-3-6-12-7-4-10/h5,9-10,12H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyYENXGTXXVSYHRM-UHFFFAOYSA-N
XLogP1.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[cyclopropyl(3-methylbutyl)amino]prop-2-enoic acid
CID 79895997
(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
CID 54923443
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
N-iodo-N-propylpiperidin-4-amine
CID 156729290
(2R)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-2-carboxamide
CID 93326822
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
(2S)-3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61408174
3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61407942
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
N-piperidin-4-yl-N-propylhexanamide
CID 60807623

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid?
The IUPAC name of 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid (CID 79896585) is 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid.
What is the SMILES notation for 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid?
The canonical SMILES for 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid is CCCN(C=CC(=O)O)C1CCNCC1.
What is the InChIKey of 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid?
The InChIKey is YENXGTXXVSYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-8-13(9-5-11(14)15)10-3-6-12-7-4-10/h5,9-10,12H,2-4,6-8H2,1H3,(H,14,15).
What are the key properties of 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid?
3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid has a molecular weight of 212.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-4-yl(propyl)amino]prop-2-enoic acid is sourced from PubChem (CID 79896585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).