4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid

C15H28N2O4 — CID 19807176

IUPAC4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)5-4-6-12(3)16-14(18)21-13-7-9-17(10-8-13)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUNEQDOFYKZUCBF-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.07
Rot. Bonds6

About 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid

4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid (PubChem CID 19807176) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid
PubChem CID19807176
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)5-4-6-12(3)16-14(18)21-13-7-9-17(10-8-13)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyUNEQDOFYKZUCBF-UHFFFAOYSA-N
XLogP3.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid (CID 19807176) is 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid is CC(C)CCCC(C)NC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid?
The InChIKey is UNEQDOFYKZUCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)5-4-6-12(3)16-14(18)21-13-7-9-17(10-8-13)15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid?
4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 19807176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).