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

C14H24N2O5 — CID 122008165

IUPAC1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)CC(C)CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-3-21-12(17)8-10(2)9-15-14(20)16-6-4-11(5-7-16)13(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyUULQEHCPOYZBSX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.08
Rot. Bonds6

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

1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122008165) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122008165
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)CC(C)CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-3-21-12(17)8-10(2)9-15-14(20)16-6-4-11(5-7-16)13(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyUULQEHCPOYZBSX-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81071213
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 113450641
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81069884
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid (CID 122008165) is 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid is CCOC(=O)CC(C)CNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is UULQEHCPOYZBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-21-12(17)8-10(2)9-15-14(20)16-6-4-11(5-7-16)13(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-2-methyl-4-oxobutyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122008165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).