ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate

C22H24ClNO4 — CID 27555052

IUPACethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClNO4/c1-2-27-22(26)16-11-13-24(14-12-16)21(25)18-8-4-6-10-20(18)28-15-17-7-3-5-9-19(17)23/h3-10,16H,2,11-15H2,1H3
InChIKeyVDHMQOSFVBKFPU-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.33
Rot. Bonds6

About ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate

ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate (PubChem CID 27555052) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
PubChem CID27555052
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Nameethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClNO4/c1-2-27-22(26)16-11-13-24(14-12-16)21(25)18-8-4-6-10-20(18)28-15-17-7-3-5-9-19(17)23/h3-10,16H,2,11-15H2,1H3
InChIKeyVDHMQOSFVBKFPU-UHFFFAOYSA-N
XLogP4.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
[2-[(2-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638428
[2-[(2-chlorophenyl)methoxy]phenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27660944
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 119595906
(4-aminopiperidin-1-yl)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 119374451
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
CID 35512538
[2-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60590462
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate (CID 27555052) is ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The InChIKey is VDHMQOSFVBKFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-2-27-22(26)16-11-13-24(14-12-16)21(25)18-8-4-6-10-20(18)28-15-17-7-3-5-9-19(17)23/h3-10,16H,2,11-15H2,1H3.
What are the key properties of ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate has a molecular weight of 401.89 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 27555052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).