4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid

C14H17ClN2O4 — CID 68885629

IUPAC4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H17ClN2O4/c15-10-1-3-12(4-2-10)21-9-13(18)16-11-5-7-17(8-6-11)14(19)20/h1-4,11H,5-9H2,(H,16,18)(H,19,20)
InChIKeyUMPXISKEHLQSRR-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.98
Rot. Bonds4

About 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid

4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid (PubChem CID 68885629) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
PubChem CID68885629
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
SMILESO=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H17ClN2O4/c15-10-1-3-12(4-2-10)21-9-13(18)16-11-5-7-17(8-6-11)14(19)20/h1-4,11H,5-9H2,(H,16,18)(H,19,20)
InChIKeyUMPXISKEHLQSRR-UHFFFAOYSA-N
XLogP1.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108561475
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid (CID 68885629) is 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid is O=C(COc1ccc(Cl)cc1)NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid?
The InChIKey is UMPXISKEHLQSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-10-1-3-12(4-2-10)21-9-13(18)16-11-5-7-17(8-6-11)14(19)20/h1-4,11H,5-9H2,(H,16,18)(H,19,20).
What are the key properties of 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid?
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid has a molecular weight of 312.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68885629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).