2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride

C11H22ClN3O — CID 119925040

IUPAC2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCNC(=O)CN1CCC(N)C(C)C1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-3-5-13-11(15)8-14-6-4-10(12)9(2)7-14;/h3,9-10H,1,4-8,12H2,2H3,(H,13,15);1H
InChIKeyHRNZTEWVKVWZBT-UHFFFAOYSA-N
MW247.77 g/mol
LogP0.38
Rot. Bonds4

About 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride

2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride (PubChem CID 119925040) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride
PubChem CID119925040
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride
SMILESC=CCNC(=O)CN1CCC(N)C(C)C1.Cl
InChIInChI=1S/C11H21N3O.ClH/c1-3-5-13-11(15)8-14-6-4-10(12)9(2)7-14;/h3,9-10H,1,4-8,12H2,2H3,(H,13,15);1H
InChIKeyHRNZTEWVKVWZBT-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
2-(4-amino-3-methylpiperidin-1-yl)-N-propylacetamide;hydrochloride
CID 119925069
2-(3-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 61297429
2-(4-amino-3-methylpiperidin-1-yl)-N,N-dipropylacetamide;hydrochloride
CID 119925188
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
N-(2-aminoethyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114678035
3-(4-amino-3-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79868702
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-prop-2-enylacetamide;hydrochloride
CID 120762190
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride (CID 119925040) is 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride is C=CCNC(=O)CN1CCC(N)C(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride?
The InChIKey is HRNZTEWVKVWZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c1-3-5-13-11(15)8-14-6-4-10(12)9(2)7-14;/h3,9-10H,1,4-8,12H2,2H3,(H,13,15);1H.
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride?
2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide;hydrochloride is sourced from PubChem (CID 119925040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).