1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid

C16H22N2O5 — CID 122076774

IUPAC1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCOc1cccc(NC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C16H22N2O5/c1-22-8-9-23-14-6-2-5-13(10-14)17-16(21)18-7-3-4-12(11-18)15(19)20/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyKAWOEYDFVSZKST-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.04
Rot. Bonds6

About 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122076774) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122076774
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOCCOc1cccc(NC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C16H22N2O5/c1-22-8-9-23-14-6-2-5-13(10-14)17-16(21)18-7-3-4-12(11-18)15(19)20/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyKAWOEYDFVSZKST-UHFFFAOYSA-N
XLogP2.04
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.04
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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Related Compounds

(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
1-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076825
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
1-[(3-propanoylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087292

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122076774) is 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid is COCCOc1cccc(NC(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KAWOEYDFVSZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-22-8-9-23-14-6-2-5-13(10-14)17-16(21)18-7-3-4-12(11-18)15(19)20/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122076774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).