N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide

C34H44Cl2N6O4S — CID 146241169

IUPACN-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(C(C)CCS(C)(=O)=O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C34H44Cl2N6O4S/c1-24(8-15-47(3,44)45)41-11-13-42(14-12-41)33-5-4-31(22-38-33)46-34-17-27(16-32(39-34)28-18-29(35)20-30(36)19-28)23-40-9-6-26(7-10-40)21-37-25(2)43/h4-5,16-20,22,24,26H,6-15,21,23H2,1-3H3,(H,37,43)
InChIKeyRFHMTJDRLMJDHY-UHFFFAOYSA-N
MW703.74 g/mol
LogP5.54
Rot. Bonds12

About N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 146241169) has the molecular formula C34H44Cl2N6O4S and a molecular weight of 703.74 g/mol. Its IUPAC name is N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
PubChem CID146241169
Molecular FormulaC34H44Cl2N6O4S
Molecular Weight703.74 g/mol
Exact Mass702.25
IUPAC NameN-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(C(C)CCS(C)(=O)=O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C34H44Cl2N6O4S/c1-24(8-15-47(3,44)45)41-11-13-42(14-12-41)33-5-4-31(22-38-33)46-34-17-27(16-32(39-34)28-18-29(35)20-30(36)19-28)23-40-9-6-26(7-10-40)21-37-25(2)43/h4-5,16-20,22,24,26H,6-15,21,23H2,1-3H3,(H,37,43)
InChIKeyRFHMTJDRLMJDHY-UHFFFAOYSA-N
XLogP5.54
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.74
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

4-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]-2-methylbutanoic acid
CID 146241423
N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
CID 146241322
2-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]acetic acid
CID 146241476
ethyl N-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]carbamate
CID 175110242
1-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(3-methylbutyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]-3-methylurea
CID 153361751
[1-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]-3,3-dimethylbutan-2-yl] carbamate
CID 175108291
ethyl 3-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]piperazin-1-yl]butanoate
CID 146241614
ethyl 3-[3-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanoate
CID 146241530
N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(3-methylsulfonylbutyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]formamide
CID 166583764
1-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(3-sulfamoylpropyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]-3-methylurea
CID 146241345
3-[4-[5-[[6-(3,5-dichlorophenyl)-4-[[4-[(methylcarbamoylamino)methyl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]propanoic acid
CID 146241105
1-[[1-[[2-(3,5-dichlorophenyl)-6-[2-[4-(4-hydroxybutan-2-yl)piperazin-1-yl]pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]methyl]-3-methylurea
CID 146241466

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide (CID 146241169) is N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(Cc2cc(Oc3ccc(N4CCN(C(C)CCS(C)(=O)=O)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1.
What is the InChIKey of N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is RFHMTJDRLMJDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44Cl2N6O4S/c1-24(8-15-47(3,44)45)41-11-13-42(14-12-41)33-5-4-31(22-38-33)46-34-17-27(16-32(39-34)28-18-29(35)20-30(36)19-28)23-40-9-6-26(7-10-40)21-37-25(2)43/h4-5,16-20,22,24,26H,6-15,21,23H2,1-3H3,(H,37,43).
What are the key properties of N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 703.74 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(4-methylsulfonylbutan-2-yl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 146241169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).