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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68792373
3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68761027
8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757057
8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757264
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68761995
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68758196
tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate
CID 90815880
(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68797800
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68758201
[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 87563600
8-[1-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]dibenzothiophen-4-yl]-2-morpholin-4-ylchromen-4-one
CID 25169995
2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]oxyacetic acid
CID 59752265

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).