1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid

C14H23NO4 — CID 22469198

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyUGTKWOXHHSBNNQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.66
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid (PubChem CID 22469198) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid
PubChem CID22469198
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyUGTKWOXHHSBNNQ-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.66
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-tert-Butyl 4-ethyl 4-(prop-2-en-1-yl)piperidine-1,4-dicarboxylate
CID 16218270
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
1-[(Tert-butoxy)carbonyl]-4-ethenylpiperidine-4-carboxylic acid
CID 89949738
1-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
1-(1,1-Dimethylethyl) 3-(2-propen-1-yl)-1,3-piperidinedicarboxylate
CID 45074223
1-tert-Butyl 4-methyl 4-allylpiperidine-1,4-dicarboxylate
CID 52987804
4-(But-3-en-1-yl)-1-((tert-butoxy)carbonyl)piperidine-4-carboxylic acid
CID 53417926
1-((Tert-butoxy)carbonyl)-3-(prop-2-en-1-yl)pyrrolidine-3-carboxylic acid
CID 79421148
1-O-tert-butyl 4-O-deuterio 4-methylpiperidine-1,4-dicarboxylate
CID 164672795
2-{1-[(Tert-butoxy)carbonyl]-3-(1-fluoroethenyl)piperidin-3-yl}acetic acid
CID 165483698
4-Ethoxycarbonyl-4-prop-2-enylpiperidine-1-carboxylic acid
CID 18536526
1-Methyl-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid
CID 20798297

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid (CID 22469198) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid is C=CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid?
The InChIKey is UGTKWOXHHSBNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,16,17).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22469198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).