1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

C21H24N2O4 — CID 122092864

IUPAC1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O4/c24-20(25)17-9-12-23(13-10-17)21(26)22-18-7-4-8-19(15-18)27-14-11-16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,22,26)(H,24,25)
InChIKeyZKEBADJAEASIAM-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.64
Rot. Bonds6

About 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122092864) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122092864
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O4/c24-20(25)17-9-12-23(13-10-17)21(26)22-18-7-4-8-19(15-18)27-14-11-16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,22,26)(H,24,25)
InChIKeyZKEBADJAEASIAM-UHFFFAOYSA-N
XLogP3.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092860
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122008421
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122092864) is 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2cccc(OCCc3ccccc3)c2)CC1.
What is the InChIKey of 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZKEBADJAEASIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(25)17-9-12-23(13-10-17)21(26)22-18-7-4-8-19(15-18)27-14-11-16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,22,26)(H,24,25).
What are the key properties of 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122092864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).