4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile

C22H23ClN2O3 — CID 7893208

IUPAC4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H23ClN2O3/c1-27-20-13-18(14-24)12-19(23)22(20)28-15-21(26)25-9-7-17(8-10-25)11-16-5-3-2-4-6-16/h2-6,12-13,17H,7-11,15H2,1H3
InChIKeyODLBZOYLAGVHBG-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.08
Rot. Bonds6

About 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile

4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile (PubChem CID 7893208) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile.

Molecular Properties

Compound Name4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile
PubChem CID7893208
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H23ClN2O3/c1-27-20-13-18(14-24)12-19(23)22(20)28-15-21(26)25-9-7-17(8-10-25)11-16-5-3-2-4-6-16/h2-6,12-13,17H,7-11,15H2,1H3
InChIKeyODLBZOYLAGVHBG-UHFFFAOYSA-N
XLogP4.08
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
N-benzyl-2-(2-chloro-4-cyano-6-methoxyphenoxy)acetamide
CID 7893217
3-chloro-4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-5-methoxybenzonitrile
CID 7893254
1-(4-benzylpiperidin-1-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778179
2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
CID 139677549
1-(4-benzylpiperidin-1-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 7931900
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-cyanobenzoate
CID 2626235
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7893268
1-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-2-phenoxyethanone
CID 46088246
[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea
CID 11675741
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 16503553
2-[4-(hydroxymethyl)phenoxy]-1-[3-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 159728482

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile?
The IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile (CID 7893208) is 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile.
What is the SMILES notation for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile?
The canonical SMILES for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile is COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile?
The InChIKey is ODLBZOYLAGVHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-27-20-13-18(14-24)12-19(23)22(20)28-15-21(26)25-9-7-17(8-10-25)11-16-5-3-2-4-6-16/h2-6,12-13,17H,7-11,15H2,1H3.
What are the key properties of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile?
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile has a molecular weight of 398.89 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-3-chloro-5-methoxybenzonitrile is sourced from PubChem (CID 7893208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).