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

C17H28N2O5 — CID 22646459

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)19-9-5-4-6-13(19)14(20)18-10-7-12(8-11-18)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKeyJVBBAJUHUPVZLA-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.10
Rot. Bonds2

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

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid (PubChem CID 22646459) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid
PubChem CID22646459
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)19-9-5-4-6-13(19)14(20)18-10-7-12(8-11-18)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKeyJVBBAJUHUPVZLA-UHFFFAOYSA-N
XLogP2.10
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid (CID 22646459) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is JVBBAJUHUPVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-17(2,3)24-16(23)19-9-5-4-6-13(19)14(20)18-10-7-12(8-11-18)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22646459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).