1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid

C10H18N2O4 — CID 28512975

IUPAC1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCOCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-16-7-4-11-10(15)12-5-2-8(3-6-12)9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyYBCCJLUTVPYJRP-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.14
Rot. Bonds4

About 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid

1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 28512975) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID28512975
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCOCCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-16-7-4-11-10(15)12-5-2-8(3-6-12)9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyYBCCJLUTVPYJRP-UHFFFAOYSA-N
XLogP0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Tert-butylcarbamoyl)piperidine-4-carboxylic acid
CID 894285
1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
1-(Methylcarbamoyl)piperidine-4-carboxylic acid
CID 43135697
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
1-[(1-Ethoxycarbonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 127565071
Ethyl 4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoate
CID 172436455
Methyl 1-(butylcarbamoyl)piperidine-4-carboxylate
CID 6461551
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63832650
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63834776
3-Methoxy-4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 103159563
3-Methoxy-4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 103159565

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid (CID 28512975) is 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid is COCCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is YBCCJLUTVPYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-7-4-11-10(15)12-5-2-8(3-6-12)9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid?
1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28512975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).