N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride

C11H21ClN2O2 — CID 120575305

IUPACN-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
SMILESC=CCOCC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-3-7-15-8-11(14)13-10-5-4-6-12-9(10)2;/h3,9-10,12H,1,4-8H2,2H3,(H,13,14);1H
InChIKeyLQTARRJORWGKPB-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.87
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride (PubChem CID 120575305) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
PubChem CID120575305
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC NameN-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
SMILESC=CCOCC(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-3-7-15-8-11(14)13-10-5-4-6-12-9(10)2;/h3,9-10,12H,1,4-8H2,2H3,(H,13,14);1H
InChIKeyLQTARRJORWGKPB-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206930
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120577990
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-(2-chlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575020
N-(2-methylpiperidin-3-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 120577924

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride (CID 120575305) is N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride is C=CCOCC(=O)NC1CCCNC1C.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride?
The InChIKey is LQTARRJORWGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-3-7-15-8-11(14)13-10-5-4-6-12-9(10)2;/h3,9-10,12H,1,4-8H2,2H3,(H,13,14);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride has a molecular weight of 248.75 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 N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride is sourced from PubChem (CID 120575305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).