4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid

C10H15NO4 — CID 155822941

IUPAC4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid
SMILESC=CC(=O)N1CCC(OC)C(C(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-3-9(12)11-5-4-8(15-2)7(6-11)10(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14)
InChIKeyGHKHCACCONRKDK-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.12
Rot. Bonds3

About 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid

4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid (PubChem CID 155822941) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid
PubChem CID155822941
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid
SMILESC=CC(=O)N1CCC(OC)C(C(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-3-9(12)11-5-4-8(15-2)7(6-11)10(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14)
InChIKeyGHKHCACCONRKDK-UHFFFAOYSA-N
XLogP0.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoylpiperidine-3,4-dicarboxylic acid
CID 112567977
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 176981883
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
1-[(3S)-3-sulfanylpyrrolidin-1-yl]prop-2-en-1-one
CID 138538887
2-methyl-4-prop-2-enoylpiperazine-1-carboxylic acid
CID 135149025
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
(3S)-1-prop-2-enoylpyrrolidine-3-carbaldehyde
CID 166115678
(1-prop-2-enoylpyrrolidin-3-yl)methyl methanesulfonate
CID 118494360
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811
1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156531720
[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
CID 155344249

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid?
The IUPAC name of 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid (CID 155822941) is 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid?
The canonical SMILES for 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid is C=CC(=O)N1CCC(OC)C(C(=O)O)C1.
What is the InChIKey of 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid?
The InChIKey is GHKHCACCONRKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-9(12)11-5-4-8(15-2)7(6-11)10(13)14/h3,7-8H,1,4-6H2,2H3,(H,13,14).
What are the key properties of 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid?
4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid is sourced from PubChem (CID 155822941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).