[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate

C23H29Cl2N5O5S — CID 118191259

IUPAC[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1ccnc(N2CCC(N(C)C(=O)OC3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)CC2)n1
InChIInChI=1S/C23H29Cl2N5O5S/c1-28(17-6-11-29(12-7-17)22-26-10-5-21(27-22)34-2)23(31)35-18-8-13-30(14-9-18)36(32,33)20-4-3-16(24)15-19(20)25/h3-5,10,15,17-18H,6-9,11-14H2,1-2H3
InChIKeyQPZGDFOEDLGPAG-UHFFFAOYSA-N
MW558.49 g/mol
LogP3.68
Rot. Bonds6

About [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate

[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 118191259) has the molecular formula C23H29Cl2N5O5S and a molecular weight of 558.49 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate
PubChem CID118191259
Molecular FormulaC23H29Cl2N5O5S
Molecular Weight558.49 g/mol
Exact Mass557.13
IUPAC Name[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1ccnc(N2CCC(N(C)C(=O)OC3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)CC2)n1
InChIInChI=1S/C23H29Cl2N5O5S/c1-28(17-6-11-29(12-7-17)22-26-10-5-21(27-22)34-2)23(31)35-18-8-13-30(14-9-18)36(32,33)20-4-3-16(24)15-19(20)25/h3-5,10,15,17-18H,6-9,11-14H2,1-2H3
InChIKeyQPZGDFOEDLGPAG-UHFFFAOYSA-N
XLogP3.68
TPSA105.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 133413516
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 154833904
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
tert-butyl 3-[methyl-[1-(4-methylsulfanylpyrimidin-2-yl)piperidin-4-yl]carbamoyl]oxypyrrolidine-1-carboxylate
CID 122636074
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47528353
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide
CID 95275291
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
CID 24732587
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 60550124
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate (CID 118191259) is [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate is COc1ccnc(N2CCC(N(C)C(=O)OC3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)CC2)n1.
What is the InChIKey of [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is QPZGDFOEDLGPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N5O5S/c1-28(17-6-11-29(12-7-17)22-26-10-5-21(27-22)34-2)23(31)35-18-8-13-30(14-9-18)36(32,33)20-4-3-16(24)15-19(20)25/h3-5,10,15,17-18H,6-9,11-14H2,1-2H3.
What are the key properties of [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate?
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 558.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl] N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 118191259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).