3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 102780306

IUPAC3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C(C)(C)C2CCCNC2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10-6-8-17(12(10)13(18)19)14(20)15(2,3)11-5-4-7-16-9-11/h10-12,16H,4-9H2,1-3H3,(H,18,19)
InChIKeyUNFODTFRUOWJGK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.33
Rot. Bonds3

About 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 102780306) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID102780306
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C(C)(C)C2CCCNC2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10-6-8-17(12(10)13(18)19)14(20)15(2,3)11-5-4-7-16-9-11/h10-12,16H,4-9H2,1-3H3,(H,18,19)
InChIKeyUNFODTFRUOWJGK-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83199631
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
1-(2,5-dimethylmorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199879
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199895
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83198699
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
2-methyl-N-(2-methylcyclopropyl)-2-piperidin-3-ylpropanamide
CID 83031438
4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholine-3-carboxamide
CID 83198470
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid (CID 102780306) is 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)C(C)(C)C2CCCNC2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UNFODTFRUOWJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-6-8-17(12(10)13(18)19)14(20)15(2,3)11-5-4-7-16-9-11/h10-12,16H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).