2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

C15H26N2O4 — CID 106744317

IUPAC2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-11-9-13(14(18)19)3-6-17(11)15(20)16(2)10-12-4-7-21-8-5-12/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyXOPXDOVCZXUJJS-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744317) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID106744317
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C15H26N2O4/c1-11-9-13(14(18)19)3-6-17(11)15(20)16(2)10-12-4-7-21-8-5-12/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyXOPXDOVCZXUJJS-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (CID 106744317) is 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N(C)CC1CCOCC1.
What is the InChIKey of 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is XOPXDOVCZXUJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-9-13(14(18)19)3-6-17(11)15(20)16(2)10-12-4-7-21-8-5-12/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).