2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid

C15H28N2O3 — CID 116536942

IUPAC2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid
SMILESCN(C)CC1CCN(C(=O)C(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)12(14(19)20)13(18)17-8-6-11(7-9-17)10-16(4)5/h11-12H,6-10H2,1-5H3,(H,19,20)
InChIKeyQRODJIRZTSSQAX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.53
Rot. Bonds4

About 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid

2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid (PubChem CID 116536942) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid
PubChem CID116536942
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid
SMILESCN(C)CC1CCN(C(=O)C(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)12(14(19)20)13(18)17-8-6-11(7-9-17)10-16(4)5/h11-12H,6-10H2,1-5H3,(H,19,20)
InChIKeyQRODJIRZTSSQAX-UHFFFAOYSA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116537054
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 103429730
(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927826
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
2-(4-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536501
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2S)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-methylamino]-3-methylbutanoic acid
CID 178019993
(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 112735279
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935265
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
3,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanoic acid
CID 116537295
2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid (CID 116536942) is 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid is CN(C)CC1CCN(C(=O)C(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid?
The InChIKey is QRODJIRZTSSQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)12(14(19)20)13(18)17-8-6-11(7-9-17)10-16(4)5/h11-12H,6-10H2,1-5H3,(H,19,20).
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid?
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 116536942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).