[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone

C24H24N2O3S — CID 45171795

IUPAC[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C24H24N2O3S/c1-29-21-12-6-5-11-19(21)23(27)18-10-7-13-26(15-18)24(28)20-16-30-22(25-20)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,16,18H,7,10,13-15H2,1H3
InChIKeyZETDBYLUHIEBBO-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.48
Rot. Bonds6

About [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone

[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone (PubChem CID 45171795) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
PubChem CID45171795
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C24H24N2O3S/c1-29-21-12-6-5-11-19(21)23(27)18-10-7-13-26(15-18)24(28)20-16-30-22(25-20)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,16,18H,7,10,13-15H2,1H3
InChIKeyZETDBYLUHIEBBO-UHFFFAOYSA-N
XLogP4.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 42154386
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
(2-benzyl-1,3-thiazol-4-yl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133115875
(3-methoxyphenyl)-[1-(2-propyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone
CID 56897529
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690

Frequently Asked Questions

What is the IUPAC name of [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone (CID 45171795) is [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1.
What is the InChIKey of [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
The InChIKey is ZETDBYLUHIEBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-29-21-12-6-5-11-19(21)23(27)18-10-7-13-26(15-18)24(28)20-16-30-22(25-20)14-17-8-3-2-4-9-17/h2-6,8-9,11-12,16,18H,7,10,13-15H2,1H3.
What are the key properties of [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone?
[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone has a molecular weight of 420.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 45171795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).