1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid

C17H32N2O2 — CID 83995339

IUPAC1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
SMILESCC(C1CCC1)N1CC(NCC(C)(C)C)CC(C(=O)O)C1
InChIInChI=1S/C17H32N2O2/c1-12(13-6-5-7-13)19-9-14(16(20)21)8-15(10-19)18-11-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,20,21)
InChIKeyKWFLVKSDVGZPSF-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.59
Rot. Bonds5

About 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid

1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid (PubChem CID 83995339) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
PubChem CID83995339
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
SMILESCC(C1CCC1)N1CC(NCC(C)(C)C)CC(C(=O)O)C1
InChIInChI=1S/C17H32N2O2/c1-12(13-6-5-7-13)19-9-14(16(20)21)8-15(10-19)18-11-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,20,21)
InChIKeyKWFLVKSDVGZPSF-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995032
1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
CID 65066559
methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
CID 83996009
1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992553
1-(1-cyclopentylethyl)piperidine-4-carboxylic acid
CID 65056131
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83995119
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid (CID 83995339) is 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid is CC(C1CCC1)N1CC(NCC(C)(C)C)CC(C(=O)O)C1.
What is the InChIKey of 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The InChIKey is KWFLVKSDVGZPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(13-6-5-7-13)19-9-14(16(20)21)8-15(10-19)18-11-17(2,3)4/h12-15,18H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83995339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).