1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C16H27NO6 — CID 122155753

IUPAC1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27NO6/c1-14(2,3)22-12(20)16(11(18)19)7-9-17(10-8-16)13(21)23-15(4,5)6/h7-10H2,1-6H3,(H,18,19)
InChIKeyRBASNIDERRGEFR-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.43
Rot. Bonds2

About 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 122155753) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID122155753
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27NO6/c1-14(2,3)22-12(20)16(11(18)19)7-9-17(10-8-16)13(21)23-15(4,5)6/h7-10H2,1-6H3,(H,18,19)
InChIKeyRBASNIDERRGEFR-UHFFFAOYSA-N
XLogP2.43
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
1-((Tert-butoxy)carbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 17983139
1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 21882576
1-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
1-((Tert-butoxy)carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 46318385
1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
CID 57920278
1-((Tert-butoxy)carbonyl)-4-(methoxycarbonyl)piperidine-4-carboxylic acid
CID 57920282
1-tert-Butyl 4-ethyl 4-formylpiperidine-1,4-dicarboxylate
CID 71302106
1-[(Tert-butoxy)carbonyl]-4-(prop-2-yn-1-yl)piperidine-4-carboxylic acid
CID 79420903
1-Tert-butyl 4-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
1-[(Tert-butoxy)carbonyl]-3,3-dimethylpiperidine-4-carboxylic acid
CID 84709133

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 122155753) is 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is RBASNIDERRGEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6/c1-14(2,3)22-12(20)16(11(18)19)7-9-17(10-8-16)13(21)23-15(4,5)6/h7-10H2,1-6H3,(H,18,19).
What are the key properties of 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 329.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122155753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).