(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C26H26N2O3 — CID 7836802

IUPAC(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H26N2O3/c29-25(31-19-20-11-13-22(14-12-20)21-7-3-1-4-8-21)23-15-17-28(18-16-23)26(30)27-24-9-5-2-6-10-24/h1-14,23H,15-19H2,(H,27,30)
InChIKeyABKZYXPJHKYZBH-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.34
Rot. Bonds5

About (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836802) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836802
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H26N2O3/c29-25(31-19-20-11-13-22(14-12-20)21-7-3-1-4-8-21)23-15-17-28(18-16-23)26(30)27-24-9-5-2-6-10-24/h1-14,23H,15-19H2,(H,27,30)
InChIKeyABKZYXPJHKYZBH-UHFFFAOYSA-N
XLogP5.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320533
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899069
(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
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
(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-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836802) is (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C(OCc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is ABKZYXPJHKYZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(31-19-20-11-13-22(14-12-20)21-7-3-1-4-8-21)23-15-17-28(18-16-23)26(30)27-24-9-5-2-6-10-24/h1-14,23H,15-19H2,(H,27,30).
What are the key properties of (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 414.51 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).