1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C14H26N2O4 — CID 104598017

IUPAC1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCCCN(CCO)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-8-15(10-11-17)13(20)16-9-6-5-7-14(16,2)12(18)19/h17H,3-11H2,1-2H3,(H,18,19)
InChIKeyZWZZFSYJBRCOEL-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.53
Rot. Bonds6

About 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598017) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598017
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCCCN(CCO)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-8-15(10-11-17)13(20)16-9-6-5-7-14(16,2)12(18)19/h17H,3-11H2,1-2H3,(H,18,19)
InChIKeyZWZZFSYJBRCOEL-UHFFFAOYSA-N
XLogP1.53
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104598017) is 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CCCCN(CCO)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is ZWZZFSYJBRCOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-8-15(10-11-17)13(20)16-9-6-5-7-14(16,2)12(18)19/h17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).