1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C26H23N3O4S — CID 55811024

IUPAC1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(C(=O)Nc4nccs4)C3)cccc2c1=O
InChIInChI=1S/C26H23N3O4S/c1-16-21(30)19-10-5-11-20(23(19)33-22(16)17-7-3-2-4-8-17)25(32)29-13-6-9-18(15-29)24(31)28-26-27-12-14-34-26/h2-5,7-8,10-12,14,18H,6,9,13,15H2,1H3,(H,27,28,31)
InChIKeyJGXIWGYAYUGTBJ-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.72
Rot. Bonds4

About 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55811024) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55811024
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC Name1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(C(=O)Nc4nccs4)C3)cccc2c1=O
InChIInChI=1S/C26H23N3O4S/c1-16-21(30)19-10-5-11-20(23(19)33-22(16)17-7-3-2-4-8-17)25(32)29-13-6-9-18(15-29)24(31)28-26-27-12-14-34-26/h2-5,7-8,10-12,14,18H,6,9,13,15H2,1H3,(H,27,28,31)
InChIKeyJGXIWGYAYUGTBJ-UHFFFAOYSA-N
XLogP4.72
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067010
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
8-[3-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
CID 119595081
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide
CID 30134890
1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60573749
3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one
CID 163002430
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 7582799
1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818716

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55811024) is 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCC(C(=O)Nc4nccs4)C3)cccc2c1=O.
What is the InChIKey of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is JGXIWGYAYUGTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-16-21(30)19-10-5-11-20(23(19)33-22(16)17-7-3-2-4-8-17)25(32)29-13-6-9-18(15-29)24(31)28-26-27-12-14-34-26/h2-5,7-8,10-12,14,18H,6,9,13,15H2,1H3,(H,27,28,31).
What are the key properties of 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55811024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).