2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C22H26N2O4 — CID 7899069

IUPAC2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCOc1ccc(CCOC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-20-9-7-17(8-10-20)13-16-28-21(25)18-11-14-24(15-12-18)22(26)23-19-5-3-2-4-6-19/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyLXXVVFVGCQCVSF-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.72
Rot. Bonds6

About 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7899069) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7899069
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCOc1ccc(CCOC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-20-9-7-17(8-10-20)13-16-28-21(25)18-11-14-24(15-12-18)22(26)23-19-5-3-2-4-6-19/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyLXXVVFVGCQCVSF-UHFFFAOYSA-N
XLogP3.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836469
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836697
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836685
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836718
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7899069) is 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is COc1ccc(CCOC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is LXXVVFVGCQCVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-20-9-7-17(8-10-20)13-16-28-21(25)18-11-14-24(15-12-18)22(26)23-19-5-3-2-4-6-19/h2-10,18H,11-16H2,1H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7899069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).