1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid

C15H25NO4 — CID 59527827

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid
SMILESC=C(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-11(2)10-15(12(17)18)6-8-16(9-7-15)13(19)20-14(3,4)5/h1,6-10H2,2-5H3,(H,17,18)
InChIKeyPQBBGWQLEQXMLR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid (PubChem CID 59527827) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid
PubChem CID59527827
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid
SMILESC=C(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-11(2)10-15(12(17)18)6-8-16(9-7-15)13(19)20-14(3,4)5/h1,6-10H2,2-5H3,(H,17,18)
InChIKeyPQBBGWQLEQXMLR-UHFFFAOYSA-N
XLogP3.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.05
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-butoxy)carbonyl)-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid
CID 22469198
1-[(Tert-butoxy)carbonyl]-4-ethenylpiperidine-4-carboxylic acid
CID 89949738
1-(1,1-Dimethylethyl) 3-(2-propen-1-yl)-1,3-piperidinedicarboxylate
CID 45074223
1-((Tert-butoxy)carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 46318385
1-[(Tert-butoxy)carbonyl]-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 57790581
2-(1-Tert-butoxycarbonyl-3-methyl-3-piperidyl)acetic acid
CID 115048062
4-(But-3-en-1-yl)-1-((tert-butoxy)carbonyl)piperidine-4-carboxylic acid
CID 53417926
4-(3-Fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 81113399
3-Fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid
CID 84814683
2-{1-[(Tert-butoxy)carbonyl]-3-(1-fluoroethenyl)piperidin-3-yl}acetic acid
CID 165483698
Tert-butyl 3-(1-fluoroethenyl)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 165871925
2-{1-[(Tert-butoxy)carbonyl]-4-(1-fluoroethenyl)piperidin-4-yl}acetic acid
CID 165956508

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid (CID 59527827) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid is C=C(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
The InChIKey is PQBBGWQLEQXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11(2)10-15(12(17)18)6-8-16(9-7-15)13(19)20-14(3,4)5/h1,6-10H2,2-5H3,(H,17,18).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylprop-2-enyl)piperidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 3.05, 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-(2-methylprop-2-enyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 59527827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).