[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate

C23H29ClN4O4S — CID 10152239

IUPAC[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
SMILESC[C@@H]1CCC[C@H](COC(=O)N2CCN(c3ccccn3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O4S/c1-18-5-4-6-20(28(18)33(30,31)21-10-8-19(24)9-11-21)17-32-23(29)27-15-13-26(14-16-27)22-7-2-3-12-25-22/h2-3,7-12,18,20H,4-6,13-17H2,1H3/t18-,20-/m1/s1
InChIKeyYFGMILRRERWERK-UYAOXDASSA-N
MW493.03 g/mol
LogP3.63
Rot. Bonds5

About [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate

[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate (PubChem CID 10152239) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
PubChem CID10152239
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC Name[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
SMILESC[C@@H]1CCC[C@H](COC(=O)N2CCN(c3ccccn3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O4S/c1-18-5-4-6-20(28(18)33(30,31)21-10-8-19(24)9-11-21)17-32-23(29)27-15-13-26(14-16-27)22-7-2-3-12-25-22/h2-3,7-12,18,20H,4-6,13-17H2,1H3/t18-,20-/m1/s1
InChIKeyYFGMILRRERWERK-UYAOXDASSA-N
XLogP3.63
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The IUPAC name of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate (CID 10152239) is [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate is C[C@@H]1CCC[C@H](COC(=O)N2CCN(c3ccccn3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
The InChIKey is YFGMILRRERWERK-UYAOXDASSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-18-5-4-6-20(28(18)33(30,31)21-10-8-19(24)9-11-21)17-32-23(29)27-15-13-26(14-16-27)22-7-2-3-12-25-22/h2-3,7-12,18,20H,4-6,13-17H2,1H3/t18-,20-/m1/s1.
What are the key properties of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate?
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate has a molecular weight of 493.03 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 10152239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).