1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid

C12H22N2O3 — CID 28513136

IUPAC1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)CCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)3-6-13-12(17)14-7-4-10(5-8-14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHDRDNQYAGXGQGJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds4

About 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid

1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 28513136) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID28513136
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)CCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)3-6-13-12(17)14-7-4-10(5-8-14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyHDRDNQYAGXGQGJ-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid (CID 28513136) is 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid is CC(C)CCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is HDRDNQYAGXGQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)3-6-13-12(17)14-7-4-10(5-8-14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid?
1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28513136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).