1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C15H28N2O3 — CID 62303234

IUPAC1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC(C)C(CN(C)C)N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C15H28N2O3/c1-9(2)12(8-16(5)6)17-11(4)14(15(19)20)10(3)7-13(17)18/h9-12,14H,7-8H2,1-6H3,(H,19,20)
InChIKeyIRPPHBVATCNFNP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.53
Rot. Bonds5

About 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 62303234) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID62303234
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC(C)C(CN(C)C)N1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C15H28N2O3/c1-9(2)12(8-16(5)6)17-11(4)14(15(19)20)10(3)7-13(17)18/h9-12,14H,7-8H2,1-6H3,(H,19,20)
InChIKeyIRPPHBVATCNFNP-UHFFFAOYSA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 62303234) is 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CC(C)C(CN(C)C)N1C(=O)CC(C)C(C(=O)O)C1C.
What is the InChIKey of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is IRPPHBVATCNFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9(2)12(8-16(5)6)17-11(4)14(15(19)20)10(3)7-13(17)18/h9-12,14H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-3-methylbutan-2-yl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62303234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).