ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate

C21H24N2O3 — CID 108867004

IUPACethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-2-26-20(24)18-12-14-23(15-13-18)21(25)22-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18H,2,12-15H2,1H3,(H,22,25)
InChIKeyKYYDNZPTOCWKSE-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.16
Rot. Bonds4

About ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 108867004) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID108867004
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-2-26-20(24)18-12-14-23(15-13-18)21(25)22-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18H,2,12-15H2,1H3,(H,22,25)
InChIKeyKYYDNZPTOCWKSE-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108886635
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
ethyl 1-[(3-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108895693
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate (CID 108867004) is ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is KYYDNZPTOCWKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-20(24)18-12-14-23(15-13-18)21(25)22-19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18H,2,12-15H2,1H3,(H,22,25).
What are the key properties of ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 108867004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).