2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid

C15H27NO4 — CID 62302258

IUPAC2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCC(C)CCOCCN1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C15H27NO4/c1-10(2)5-7-20-8-6-16-12(4)14(15(18)19)11(3)9-13(16)17/h10-12,14H,5-9H2,1-4H3,(H,18,19)
InChIKeyRJZJDNVWMONMQG-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.01
Rot. Bonds7

About 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid

2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62302258) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62302258
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCC(C)CCOCCN1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C15H27NO4/c1-10(2)5-7-20-8-6-16-12(4)14(15(18)19)11(3)9-13(16)17/h10-12,14H,5-9H2,1-4H3,(H,18,19)
InChIKeyRJZJDNVWMONMQG-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid (CID 62302258) is 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid is CC(C)CCOCCN1C(=O)CC(C)C(C(=O)O)C1C.
What is the InChIKey of 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is RJZJDNVWMONMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-10(2)5-7-20-8-6-16-12(4)14(15(18)19)11(3)9-13(16)17/h10-12,14H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid?
2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62302258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).