1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C20H23N3O3S — CID 48692113

IUPAC1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1
InChIInChI=1S/C20H23N3O3S/c24-17-11-14-5-2-1-4-13(14)10-16(17)19(26)23-8-3-6-15(12-23)18(25)22-20-21-7-9-27-20/h7,9-11,15,24H,1-6,8,12H2,(H,21,22,25)
InChIKeyWIUKIIPEZQUPRP-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.22
Rot. Bonds3

About 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 48692113) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID48692113
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1
InChIInChI=1S/C20H23N3O3S/c24-17-11-14-5-2-1-4-13(14)10-16(17)19(26)23-8-3-6-15(12-23)18(25)22-20-21-7-9-27-20/h7,9-11,15,24H,1-6,8,12H2,(H,21,22,25)
InChIKeyWIUKIIPEZQUPRP-UHFFFAOYSA-N
XLogP3.22
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810960
1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60573749
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 48692113) is 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)c2cc3c(cc2O)CCCC3)C1.
What is the InChIKey of 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is WIUKIIPEZQUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-17-11-14-5-2-1-4-13(14)10-16(17)19(26)23-8-3-6-15(12-23)18(25)22-20-21-7-9-27-20/h7,9-11,15,24H,1-6,8,12H2,(H,21,22,25).
What are the key properties of 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 48692113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).