methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate

C23H27Cl2N3O2 — CID 166534897

IUPACmethyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cnc(C3CN(c4c(Cl)cccc4Cl)C3)c(C)c2)CC1
InChIInChI=1S/C23H27Cl2N3O2/c1-15-10-16(12-27-8-6-17(7-9-27)23(29)30-2)11-26-21(15)18-13-28(14-18)22-19(24)4-3-5-20(22)25/h3-5,10-11,17-18H,6-9,12-14H2,1-2H3
InChIKeyBFGONKLGRBMYEX-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.69
Rot. Bonds5

About methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate

methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate (PubChem CID 166534897) has the molecular formula C23H27Cl2N3O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
PubChem CID166534897
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39 g/mol
Exact Mass447.15
IUPAC Namemethyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cnc(C3CN(c4c(Cl)cccc4Cl)C3)c(C)c2)CC1
InChIInChI=1S/C23H27Cl2N3O2/c1-15-10-16(12-27-8-6-17(7-9-27)23(29)30-2)11-26-21(15)18-13-28(14-18)22-19(24)4-3-5-20(22)25/h3-5,10-11,17-18H,6-9,12-14H2,1-2H3
InChIKeyBFGONKLGRBMYEX-UHFFFAOYSA-N
XLogP4.69
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4-methyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534874
methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534572
methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4,6-dimethyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534649
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate
CID 166534841
methyl 1-[[6-(1-cyanoboretan-3-yl)-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534928
methyl 1-[[2-cyclopropyl-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]piperidine-4-carboxylate
CID 166534542
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate
CID 166534514
methyl 1-[[4-[3-(2,6-dichlorophenyl)azetidin-1-yl]-3-fluorophenyl]methyl]piperidine-4-carboxylate
CID 166534584
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
CID 78997161
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 166534947
methyl 1-[2-[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]propan-2-yl]piperidine-4-carboxylate
CID 166534830
methyl 1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 166534524

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate (CID 166534897) is methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2cnc(C3CN(c4c(Cl)cccc4Cl)C3)c(C)c2)CC1.
What is the InChIKey of methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate?
The InChIKey is BFGONKLGRBMYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2/c1-15-10-16(12-27-8-6-17(7-9-27)23(29)30-2)11-26-21(15)18-13-28(14-18)22-19(24)4-3-5-20(22)25/h3-5,10-11,17-18H,6-9,12-14H2,1-2H3.
What are the key properties of methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate?
methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate has a molecular weight of 448.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-[1-(2,6-dichlorophenyl)azetidin-3-yl]-5-methyl-3-pyridinyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 166534897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).