methyl 1-prop-2-enoylpiperidine-4-carboxylate

C10H15NO3 — CID 43616339

IUPACmethyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h3,8H,1,4-7H2,2H3
InChIKeyXKOYWAJBUZFHDA-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.58
Rot. Bonds2

About methyl 1-prop-2-enoylpiperidine-4-carboxylate

methyl 1-prop-2-enoylpiperidine-4-carboxylate (PubChem CID 43616339) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 1-prop-2-enoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-prop-2-enoylpiperidine-4-carboxylate
PubChem CID43616339
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 1-prop-2-enoylpiperidine-4-carboxylate
SMILESC=CC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C10H15NO3/c1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h3,8H,1,4-7H2,2H3
InChIKeyXKOYWAJBUZFHDA-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.58
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

Sodium 1-(prop-2-enoyl)piperidine-4-carboxylate
CID 71756778
Isonipecotic acid, N-acryloyl-, ethyl ester
CID 23034651
Isonipecotic acid, N-acryloyl-, butyl ester
CID 91728650
Isonipecotic acid, N-acryloyl-, hexyl ester
CID 91734410
1-Acryloylpiperidine-4-carboxylic acid
CID 18702717
Isonipecotic acid, N-acryloyl-, heptyl ester
CID 91692761
Isonipecotic acid, N-methacryloyl-, pentyl ester
CID 91695326
Isonipecotic acid, N-acryloyl-, pentyl ester
CID 91732476
Isonipecotic acid, N-acryloyl-, isohexyl ester
CID 91734411
Isonipecotic acid, N-acryloyl-, octyl ester
CID 91737598
Isonipecotic acid, N-acryloyl-, nonyl ester
CID 91738806
Methyl 1-acetylpiperidine-4-carboxylate
CID 5182383

Frequently Asked Questions

What is the IUPAC name of methyl 1-prop-2-enoylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-prop-2-enoylpiperidine-4-carboxylate (CID 43616339) is methyl 1-prop-2-enoylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-prop-2-enoylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-prop-2-enoylpiperidine-4-carboxylate is C=CC(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-prop-2-enoylpiperidine-4-carboxylate?
The InChIKey is XKOYWAJBUZFHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-9(12)11-6-4-8(5-7-11)10(13)14-2/h3,8H,1,4-7H2,2H3.
What are the key properties of methyl 1-prop-2-enoylpiperidine-4-carboxylate?
methyl 1-prop-2-enoylpiperidine-4-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-prop-2-enoylpiperidine-4-carboxylate is sourced from PubChem (CID 43616339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).