(1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate

C33H45N3O4SSi — CID 142763150

IUPAC(1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate
SMILESCN1CCC(OC(=O)Nc2cc(CCC(=O)Nc3cc(CO[Si](C)(C)C(C)(C)C)cs3)ccc2-c2ccccc2)CC1
InChIInChI=1S/C33H45N3O4SSi/c1-33(2,3)42(5,6)39-22-25-21-31(41-23-25)35-30(37)15-13-24-12-14-28(26-10-8-7-9-11-26)29(20-24)34-32(38)40-27-16-18-36(4)19-17-27/h7-12,14,20-21,23,27H,13,15-19,22H2,1-6H3,(H,34,38)(H,35,37)
InChIKeyADGVKUODVVZLHT-UHFFFAOYSA-N
MW607.89 g/mol
LogP8.15
Rot. Bonds10

About (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate

(1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate (PubChem CID 142763150) has the molecular formula C33H45N3O4SSi and a molecular weight of 607.89 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate
PubChem CID142763150
Molecular FormulaC33H45N3O4SSi
Molecular Weight607.89 g/mol
Exact Mass607.29
IUPAC Name(1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate
SMILESCN1CCC(OC(=O)Nc2cc(CCC(=O)Nc3cc(CO[Si](C)(C)C(C)(C)C)cs3)ccc2-c2ccccc2)CC1
InChIInChI=1S/C33H45N3O4SSi/c1-33(2,3)42(5,6)39-22-25-21-31(41-23-25)35-30(37)15-13-24-12-14-28(26-10-8-7-9-11-26)29(20-24)34-32(38)40-27-16-18-36(4)19-17-27/h7-12,14,20-21,23,27H,13,15-19,22H2,1-6H3,(H,34,38)(H,35,37)
InChIKeyADGVKUODVVZLHT-UHFFFAOYSA-N
XLogP8.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.89
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate (CID 142763150) is (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate is CN1CCC(OC(=O)Nc2cc(CCC(=O)Nc3cc(CO[Si](C)(C)C(C)(C)C)cs3)ccc2-c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?
The InChIKey is ADGVKUODVVZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N3O4SSi/c1-33(2,3)42(5,6)39-22-25-21-31(41-23-25)35-30(37)15-13-24-12-14-28(26-10-8-7-9-11-26)29(20-24)34-32(38)40-27-16-18-36(4)19-17-27/h7-12,14,20-21,23,27H,13,15-19,22H2,1-6H3,(H,34,38)(H,35,37).
What are the key properties of (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate?
(1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate has a molecular weight of 607.89 g/mol, XLogP of 8.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-[5-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-2-yl]amino]-3-oxopropyl]-2-phenylphenyl]carbamate is sourced from PubChem (CID 142763150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).