2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid

C16H30N2O3 — CID 62302379

IUPAC2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCCCN(C)C(C)C)C(C)C1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)17(5)8-6-7-9-18-13(4)15(16(20)21)12(3)10-14(18)19/h11-13,15H,6-10H2,1-5H3,(H,20,21)
InChIKeyAEECRXJLLHDFFY-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.06
Rot. Bonds7

About 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid

2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62302379) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62302379
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCCCN(C)C(C)C)C(C)C1C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)17(5)8-6-7-9-18-13(4)15(16(20)21)12(3)10-14(18)19/h11-13,15H,6-10H2,1-5H3,(H,20,21)
InChIKeyAEECRXJLLHDFFY-UHFFFAOYSA-N
XLogP2.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.06
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-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid (CID 62302379) is 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid is CC1CC(=O)N(CCCCN(C)C(C)C)C(C)C1C(=O)O.
What is the InChIKey of 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is AEECRXJLLHDFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)17(5)8-6-7-9-18-13(4)15(16(20)21)12(3)10-14(18)19/h11-13,15H,6-10H2,1-5H3,(H,20,21).
What are the key properties of 2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid?
2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.06, 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-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62302379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).