1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C14H24N2O5 — CID 106744370

IUPAC1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCOC(=O)CCCNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H24N2O5/c1-3-21-12(17)5-4-7-15-14(20)16-8-6-11(13(18)19)9-10(16)2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBESGZSQSYPTZCV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds6

About 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744370) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744370
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCOC(=O)CCCNC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H24N2O5/c1-3-21-12(17)5-4-7-15-14(20)16-8-6-11(13(18)19)9-10(16)2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBESGZSQSYPTZCV-UHFFFAOYSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744370) is 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CCOC(=O)CCCNC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is BESGZSQSYPTZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-21-12(17)5-4-7-15-14(20)16-8-6-11(13(18)19)9-10(16)2/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).