4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid

C14H23N3O4 — CID 63124071

IUPAC4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c1-14(12(19)20)5-8-16(9-6-14)13(21)17-7-3-4-10(17)11(18)15-2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyDKQIUJGNZOTDDY-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.50
Rot. Bonds2

About 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid

4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid (PubChem CID 63124071) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid
PubChem CID63124071
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c1-14(12(19)20)5-8-16(9-6-14)13(21)17-7-3-4-10(17)11(18)15-2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyDKQIUJGNZOTDDY-UHFFFAOYSA-N
XLogP0.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid (CID 63124071) is 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid is CNC(=O)C1CCCN1C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is DKQIUJGNZOTDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(12(19)20)5-8-16(9-6-14)13(21)17-7-3-4-10(17)11(18)15-2/h10H,3-9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid?
4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63124071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).