[4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate

C34H46Cl2N6O4Si — CID 175549673

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate
SMILESCC(C)(C)[Si](C)(C)OC1(COC(N)=O)CCN(Cc2cc(Oc3ccc(N4CCNCC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C34H46Cl2N6O4Si/c1-33(2,3)47(4,5)46-34(23-44-32(37)43)8-12-41(13-9-34)22-24-16-29(25-18-26(35)20-27(36)19-25)40-31(17-24)45-28-6-7-30(39-21-28)42-14-10-38-11-15-42/h6-7,16-21,38H,8-15,22-23H2,1-5H3,(H2,37,43)
InChIKeyJIUIHAMANKVQAM-UHFFFAOYSA-N
MW701.77 g/mol
LogP7.10
Rot. Bonds10

About [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate

[4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate (PubChem CID 175549673) has the molecular formula C34H46Cl2N6O4Si and a molecular weight of 701.77 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate
PubChem CID175549673
Molecular FormulaC34H46Cl2N6O4Si
Molecular Weight701.77 g/mol
Exact Mass700.27
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate
SMILESCC(C)(C)[Si](C)(C)OC1(COC(N)=O)CCN(Cc2cc(Oc3ccc(N4CCNCC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C34H46Cl2N6O4Si/c1-33(2,3)47(4,5)46-34(23-44-32(37)43)8-12-41(13-9-34)22-24-16-29(25-18-26(35)20-27(36)19-25)40-31(17-24)45-28-6-7-30(39-21-28)42-14-10-38-11-15-42/h6-7,16-21,38H,8-15,22-23H2,1-5H3,(H2,37,43)
InChIKeyJIUIHAMANKVQAM-UHFFFAOYSA-N
XLogP7.10
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.77
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate (CID 175549673) is [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate is CC(C)(C)[Si](C)(C)OC1(COC(N)=O)CCN(Cc2cc(Oc3ccc(N4CCNCC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate?
The InChIKey is JIUIHAMANKVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46Cl2N6O4Si/c1-33(2,3)47(4,5)46-34(23-44-32(37)43)8-12-41(13-9-34)22-24-16-29(25-18-26(35)20-27(36)19-25)40-31(17-24)45-28-6-7-30(39-21-28)42-14-10-38-11-15-42/h6-7,16-21,38H,8-15,22-23H2,1-5H3,(H2,37,43).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate?
[4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate has a molecular weight of 701.77 g/mol, XLogP of 7.10, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175549673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).