1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid

C22H26N2O4 — CID 122008421

IUPAC1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C22H26N2O4/c25-21(26)19-10-13-24(14-11-19)22(27)23-12-9-17-7-4-8-20(15-17)28-16-18-5-2-1-3-6-18/h1-8,15,19H,9-14,16H2,(H,23,27)(H,25,26)
InChIKeyAAUYGCFZRGCRSI-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.31
Rot. Bonds7

About 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122008421) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122008421
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C22H26N2O4/c25-21(26)19-10-13-24(14-11-19)22(27)23-12-9-17-7-4-8-20(15-17)28-16-18-5-2-1-3-6-18/h1-8,15,19H,9-14,16H2,(H,23,27)(H,25,26)
InChIKeyAAUYGCFZRGCRSI-UHFFFAOYSA-N
XLogP3.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007190
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
(2S,4S)-2-methyl-N-[2-(3-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120640817
1-[1-(3-phenylmethoxyphenyl)propyl]piperidine-4-carboxylic acid
CID 4664073
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
1-[2-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122003126
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 122008421) is 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is AAUYGCFZRGCRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(26)19-10-13-24(14-11-19)22(27)23-12-9-17-7-4-8-20(15-17)28-16-18-5-2-1-3-6-18/h1-8,15,19H,9-14,16H2,(H,23,27)(H,25,26).
What are the key properties of 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122008421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).