(4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate

C21H23ClN2O5 — CID 67626568

IUPAC(4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate
SMILESCOc1ccc(COC(=O)c2cc(Cl)ccc2C2CC(O)CCN2C(N)=O)cc1
InChIInChI=1S/C21H23ClN2O5/c1-28-16-5-2-13(3-6-16)12-29-20(26)18-10-14(22)4-7-17(18)19-11-15(25)8-9-24(19)21(23)27/h2-7,10,15,19,25H,8-9,11-12H2,1H3,(H2,23,27)
InChIKeyJVJGARHGJNDLFZ-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.28
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate

(4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate (PubChem CID 67626568) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate
PubChem CID67626568
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC Name(4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate
SMILESCOc1ccc(COC(=O)c2cc(Cl)ccc2C2CC(O)CCN2C(N)=O)cc1
InChIInChI=1S/C21H23ClN2O5/c1-28-16-5-2-13(3-6-16)12-29-20(26)18-10-14(22)4-7-17(18)19-11-15(25)8-9-24(19)21(23)27/h2-7,10,15,19,25H,8-9,11-12H2,1H3,(H2,23,27)
InChIKeyJVJGARHGJNDLFZ-UHFFFAOYSA-N
XLogP3.28
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate 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

(4-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929193
(4-methoxyphenyl)methyl 2-chloro-3,4-dimethylbenzoate
CID 58373857
4-(cyclopentylmethyl)-2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 70093736
benzyl (1S,8R)-5-chloro-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-9-carboxylate
CID 175961281
(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546133
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
5-chloro-9-[(4-methoxyphenyl)methyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44825921
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
(4-methoxyphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 104700445
4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
CID 86863283
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18201249

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate?
The IUPAC name of (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate (CID 67626568) is (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate is COc1ccc(COC(=O)c2cc(Cl)ccc2C2CC(O)CCN2C(N)=O)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate?
The InChIKey is JVJGARHGJNDLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-28-16-5-2-13(3-6-16)12-29-20(26)18-10-14(22)4-7-17(18)19-11-15(25)8-9-24(19)21(23)27/h2-7,10,15,19,25H,8-9,11-12H2,1H3,(H2,23,27).
What are the key properties of (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate?
(4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate has a molecular weight of 418.88 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(1-carbamoyl-4-hydroxypiperidin-2-yl)-5-chlorobenzoate is sourced from PubChem (CID 67626568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).