2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate

C12H19NO3 — CID 157364720

IUPAC2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate
SMILESC=CC(=O)N1CCCCC1CCOC(C)=O
InChIInChI=1S/C12H19NO3/c1-3-12(15)13-8-5-4-6-11(13)7-9-16-10(2)14/h3,11H,1,4-9H2,2H3
InChIKeyPEYOJEWTRFMXNF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.51
Rot. Bonds4

About 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate

2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate (PubChem CID 157364720) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate
PubChem CID157364720
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate
SMILESC=CC(=O)N1CCCCC1CCOC(C)=O
InChIInChI=1S/C12H19NO3/c1-3-12(15)13-8-5-4-6-11(13)7-9-16-10(2)14/h3,11H,1,4-9H2,2H3
InChIKeyPEYOJEWTRFMXNF-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
CID 72747808
1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
CID 138700109
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
2-[1-(3-methylbut-2-enoyl)piperidin-2-yl]acetic acid
CID 61009139
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 166466257
3-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 63249341
2-[1-[(E)-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-enoyl]piperidin-2-yl]ethyl acetate
CID 19092455

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate?
The IUPAC name of 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate (CID 157364720) is 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate.
What is the SMILES notation for 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate?
The canonical SMILES for 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate is C=CC(=O)N1CCCCC1CCOC(C)=O.
What is the InChIKey of 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate?
The InChIKey is PEYOJEWTRFMXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-12(15)13-8-5-4-6-11(13)7-9-16-10(2)14/h3,11H,1,4-9H2,2H3.
What are the key properties of 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate?
2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate has a molecular weight of 225.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enoylpiperidin-2-yl)ethyl acetate is sourced from PubChem (CID 157364720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).