1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

C14H22N2O3 — CID 43385793

IUPAC1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESC=CCN(CC=C)C(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O3/c1-3-7-16(8-4-2)13(17)11-15-9-5-12(6-10-15)14(18)19/h3-4,12H,1-2,5-11H2,(H,18,19)
InChIKeyTWYBSBSKYWMSGQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.98
Rot. Bonds7

About 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 43385793) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID43385793
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESC=CCN(CC=C)C(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O3/c1-3-7-16(8-4-2)13(17)11-15-9-5-12(6-10-15)14(18)19/h3-4,12H,1-2,5-11H2,(H,18,19)
InChIKeyTWYBSBSKYWMSGQ-UHFFFAOYSA-N
XLogP0.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Acryloylpiperidine-4-carboxylic acid
CID 18702717
1-(Dimethylaminoacetyl)piperidine-4-carboxylic acid
CID 17908774
1-But-3-enoylpiperidine-4-carboxylic acid
CID 21892269
1-[2-Oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxylic acid
CID 22322911
1-[2-[Butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 39358200
1-Pent-4-enoylpiperidine-4-carboxylic acid
CID 58070908
1-[2-[Methyl(3-methylbutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62659152
1-[4-(Dimethylamino)but-2-enoyl]piperidine-4-carboxylic acid
CID 123415259
1-[2-(2,5-Dioxopyrrol-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172240139
1-[2-(Dimethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243402
1-[2-Oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 39246837
1-[(Diethylcarbamoyl)methyl]piperidine-4-carboxylic acid
CID 39346551

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 43385793) is 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is C=CCN(CC=C)C(=O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is TWYBSBSKYWMSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-7-16(8-4-2)13(17)11-15-9-5-12(6-10-15)14(18)19/h3-4,12H,1-2,5-11H2,(H,18,19).
What are the key properties of 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43385793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).