2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid

C15H27N3O3 — CID 106744451

IUPAC2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(CNC(=O)N1CCC(C(=O)O)CC1C)N1CCCC1
InChIInChI=1S/C15H27N3O3/c1-11-9-13(14(19)20)5-8-18(11)15(21)16-10-12(2)17-6-3-4-7-17/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyOCKBGIGQVWZIDI-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds4

About 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid

2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 106744451) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID106744451
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(CNC(=O)N1CCC(C(=O)O)CC1C)N1CCCC1
InChIInChI=1S/C15H27N3O3/c1-11-9-13(14(19)20)5-8-18(11)15(21)16-10-12(2)17-6-3-4-7-17/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyOCKBGIGQVWZIDI-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid (CID 106744451) is 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid is CC(CNC(=O)N1CCC(C(=O)O)CC1C)N1CCCC1.
What is the InChIKey of 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is OCKBGIGQVWZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-9-13(14(19)20)5-8-18(11)15(21)16-10-12(2)17-6-3-4-7-17/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid?
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106744451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).