tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate

C36H37N3O6S — CID 90815880

IUPACtert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)CC1
InChIInChI=1S/C36H37N3O6S/c1-36(2,3)45-35(42)39-14-12-22(13-15-39)34(41)37-23-10-11-30-28(20-23)26-8-5-7-25(33(26)46-30)24-6-4-9-27-29(40)21-31(44-32(24)27)38-16-18-43-19-17-38/h4-11,20-22H,12-19H2,1-3H3,(H,37,41)
InChIKeyJFNMNVJMPJPANR-UHFFFAOYSA-N
MW639.77 g/mol
LogP7.25
Rot. Bonds4

About tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 90815880) has the molecular formula C36H37N3O6S and a molecular weight of 639.77 g/mol. Its IUPAC name is tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID90815880
Molecular FormulaC36H37N3O6S
Molecular Weight639.77 g/mol
Exact Mass639.24
IUPAC Nametert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)CC1
InChIInChI=1S/C36H37N3O6S/c1-36(2,3)45-35(42)39-14-12-22(13-15-39)34(41)37-23-10-11-30-28(20-23)26-8-5-7-25(33(26)46-30)24-6-4-9-27-29(40)21-31(44-32(24)27)38-16-18-43-19-17-38/h4-11,20-22H,12-19H2,1-3H3,(H,37,41)
InChIKeyJFNMNVJMPJPANR-UHFFFAOYSA-N
XLogP7.25
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.77
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68761027
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68758196
(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68797800
tert-butyl (3R)-3-[[6-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate
CID 91498038
8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757263
N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68792373
2-chloro-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 59752259
2-(2-hydroxyethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 71817380
4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophene-1-diazonium
CID 58285123
2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]oxyacetic acid
CID 59752265
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate (CID 90815880) is tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)CC1.
What is the InChIKey of tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is JFNMNVJMPJPANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O6S/c1-36(2,3)45-35(42)39-14-12-22(13-15-39)34(41)37-23-10-11-30-28(20-23)26-8-5-7-25(33(26)46-30)24-6-4-9-27-29(40)21-31(44-32(24)27)38-16-18-43-19-17-38/h4-11,20-22H,12-19H2,1-3H3,(H,37,41).
What are the key properties of tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 639.77 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 90815880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).