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

C21H23ClN2O4 — CID 7836469

IUPAC2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCCOc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O4/c22-17-6-8-19(9-7-17)27-14-15-28-20(25)16-10-12-24(13-11-16)21(26)23-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,23,26)
InChIKeyULGHDOXJRCVHOZ-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.21
Rot. Bonds6

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

2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836469) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836469
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCCOc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O4/c22-17-6-8-19(9-7-17)27-14-15-28-20(25)16-10-12-24(13-11-16)21(26)23-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,23,26)
InChIKeyULGHDOXJRCVHOZ-UHFFFAOYSA-N
XLogP4.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899069
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836697
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836469) is 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C(OCCOc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is ULGHDOXJRCVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c22-17-6-8-19(9-7-17)27-14-15-28-20(25)16-10-12-24(13-11-16)21(26)23-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 402.88 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).