N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide

C33H33N3O4S — CID 89004316

IUPACN,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)c2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)C1
InChIInChI=1S/C33H33N3O4S/c1-34-13-5-6-21(20-34)33(38)35(2)22-11-12-29-27(18-22)25-9-4-8-24(32(25)41-29)23-7-3-10-26-28(37)19-30(40-31(23)26)36-14-16-39-17-15-36/h3-4,7-12,18-19,21H,5-6,13-17,20H2,1-2H3
InChIKeyZEEBOXNIIYAOLO-UHFFFAOYSA-N
MW567.71 g/mol
LogP5.97
Rot. Bonds4

About N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide

N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide (PubChem CID 89004316) has the molecular formula C33H33N3O4S and a molecular weight of 567.71 g/mol. Its IUPAC name is N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide
PubChem CID89004316
Molecular FormulaC33H33N3O4S
Molecular Weight567.71 g/mol
Exact Mass567.22
IUPAC NameN,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)N(C)c2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)C1
InChIInChI=1S/C33H33N3O4S/c1-34-13-5-6-21(20-34)33(38)35(2)22-11-12-29-27(18-22)25-9-4-8-24(32(25)41-29)23-7-3-10-26-28(37)19-30(40-31(23)26)36-14-16-39-17-15-36/h3-4,7-12,18-19,21H,5-6,13-17,20H2,1-2H3
InChIKeyZEEBOXNIIYAOLO-UHFFFAOYSA-N
XLogP5.97
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide (CID 89004316) is N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide is CN1CCCC(C(=O)N(C)c2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)C1.
What is the InChIKey of N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide?
The InChIKey is ZEEBOXNIIYAOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O4S/c1-34-13-5-6-21(20-34)33(38)35(2)22-11-12-29-27(18-22)25-9-4-8-24(32(25)41-29)23-7-3-10-26-28(37)19-30(40-31(23)26)36-14-16-39-17-15-36/h3-4,7-12,18-19,21H,5-6,13-17,20H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide?
N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide has a molecular weight of 567.71 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 89004316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).