N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide

C22H22N4O5S — CID 155944656

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide
SMILESCn1ccc(C(=O)N2CCCCC2C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1=O
InChIInChI=1S/C22H22N4O5S/c1-25-7-5-13(10-19(25)27)21(29)26-6-3-2-4-15(26)20(28)24-22-23-14-11-16-17(12-18(14)32-22)31-9-8-30-16/h5,7,10-12,15H,2-4,6,8-9H2,1H3,(H,23,24,28)
InChIKeyCNVNPRIEKISNOE-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.40
Rot. Bonds3

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide (PubChem CID 155944656) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide
PubChem CID155944656
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide
SMILESCn1ccc(C(=O)N2CCCCC2C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1=O
InChIInChI=1S/C22H22N4O5S/c1-25-7-5-13(10-19(25)27)21(29)26-6-3-2-4-15(26)20(28)24-22-23-14-11-16-17(12-18(14)32-22)31-9-8-30-16/h5,7,10-12,15H,2-4,6,8-9H2,1H3,(H,23,24,28)
InChIKeyCNVNPRIEKISNOE-UHFFFAOYSA-N
XLogP2.40
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55965888
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826480
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 42146599
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155957578
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55790008
2-cyclohexyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
CID 43989525
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43937170
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-methylsulfanylbenzamide
CID 7565461
(3S)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 39996393
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24599284
(2R)-1-[2-(methylamino)acetyl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 134235955

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide (CID 155944656) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide is Cn1ccc(C(=O)N2CCCCC2C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1=O.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is CNVNPRIEKISNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-25-7-5-13(10-19(25)27)21(29)26-6-3-2-4-15(26)20(28)24-22-23-14-11-16-17(12-18(14)32-22)31-9-8-30-16/h5,7,10-12,15H,2-4,6,8-9H2,1H3,(H,23,24,28).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 155944656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).