(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide

C23H21N3O5S — CID 26231694

IUPAC(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(C4=NS(=O)(=O)c5ccccc54)C3)ccc12
InChIInChI=1S/C23H21N3O5S/c1-14-11-21(27)31-19-12-16(8-9-17(14)19)24-23(28)15-5-4-10-26(13-15)22-18-6-2-3-7-20(18)32(29,30)25-22/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyDIQXRZMXXPICNS-OAHLLOKOSA-N
MW451.50 g/mol
LogP2.90
Rot. Bonds2

About (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide

(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide (PubChem CID 26231694) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
PubChem CID26231694
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(C4=NS(=O)(=O)c5ccccc54)C3)ccc12
InChIInChI=1S/C23H21N3O5S/c1-14-11-21(27)31-19-12-16(8-9-17(14)19)24-23(28)15-5-4-10-26(13-15)22-18-6-2-3-7-20(18)32(29,30)25-22/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyDIQXRZMXXPICNS-OAHLLOKOSA-N
XLogP2.90
TPSA109.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-(4-carbamoyl-3-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 56518419
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033278
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 55405268
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-iodophenyl)piperidine-3-carboxamide
CID 43033294
N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033280
(3R)-N-(3,5-difluorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26003328
N-(4-chloro-2-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033293
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-hydroxy-4-methylphenyl)piperidine-3-carboxamide
CID 8897495
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43033285
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 8646503
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 8646507
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 46610054

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide (CID 26231694) is (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(C4=NS(=O)(=O)c5ccccc54)C3)ccc12.
What is the InChIKey of (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
The InChIKey is DIQXRZMXXPICNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-14-11-21(27)31-19-12-16(8-9-17(14)19)24-23(28)15-5-4-10-26(13-15)22-18-6-2-3-7-20(18)32(29,30)25-22/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,24,28)/t15-/m1/s1.
What are the key properties of (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 26231694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).