dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate

C21H21ClN2O6 — CID 56584563

IUPACdimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C21H21ClN2O6/c1-28-20(26)13-8-14(21(27)29-2)10-16(9-13)30-18-17(22)11-15(12-23-18)19(25)24-6-4-3-5-7-24/h8-12H,3-7H2,1-2H3
InChIKeyQJHWQRLBVODGNS-UHFFFAOYSA-N
MW432.86 g/mol
LogP3.73
Rot. Bonds5

About dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate

dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate (PubChem CID 56584563) has the molecular formula C21H21ClN2O6 and a molecular weight of 432.86 g/mol. Its IUPAC name is dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate
PubChem CID56584563
Molecular FormulaC21H21ClN2O6
Molecular Weight432.86 g/mol
Exact Mass432.11
IUPAC Namedimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C21H21ClN2O6/c1-28-20(26)13-8-14(21(27)29-2)10-16(9-13)30-18-17(22)11-15(12-23-18)19(25)24-6-4-3-5-7-24/h8-12H,3-7H2,1-2H3
InChIKeyQJHWQRLBVODGNS-UHFFFAOYSA-N
XLogP3.73
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 55809533
3-[[5-(azetidine-1-carbonyl)-3-chloro-2-pyridinyl]oxy]-5-(1-hydroxypropan-2-yloxy)benzoic acid
CID 67109186
N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide
CID 56584658
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
methyl 3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 133449717
methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
CID 175275086
[2-(3-chloro-4-methoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250016
3-[[5-(azetidine-1-carbonyl)-3-chloro-2-pyridinyl]oxy]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-propoxybenzamide
CID 67486249
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate (CID 56584563) is dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate is COC(=O)c1cc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate?
The InChIKey is QJHWQRLBVODGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O6/c1-28-20(26)13-8-14(21(27)29-2)10-16(9-13)30-18-17(22)11-15(12-23-18)19(25)24-6-4-3-5-7-24/h8-12H,3-7H2,1-2H3.
What are the key properties of dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate?
dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate has a molecular weight of 432.86 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 56584563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).