2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid

C14H25N3O3 — CID 104597985

IUPAC2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCCC1(C)C(=O)O)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)7-3-4-10-17(14)13(20)16(2)11-5-8-15-9-6-11/h11,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyNSYMUPQYLRPAAS-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.12
Rot. Bonds2

About 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid

2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 104597985) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID104597985
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCCC1(C)C(=O)O)C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-14(12(18)19)7-3-4-10-17(14)13(20)16(2)11-5-8-15-9-6-11/h11,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyNSYMUPQYLRPAAS-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid (CID 104597985) is 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid is CN(C(=O)N1CCCCC1(C)C(=O)O)C1CCNCC1.
What is the InChIKey of 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is NSYMUPQYLRPAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(12(18)19)7-3-4-10-17(14)13(20)16(2)11-5-8-15-9-6-11/h11,15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid?
2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104597985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).