N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C26H35N3O3S — CID 23799785

IUPACN-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C4CCCCC4)cs3)CC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-18(2)32-22-11-9-20(10-12-22)25(30)29-15-13-19(14-16-29)24-27-23(17-33-24)26(31)28(3)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16H2,1-3H3
InChIKeyJRRJZFIQSZBERG-UHFFFAOYSA-N
MW469.65 g/mol
LogP5.35
Rot. Bonds6

About N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 23799785) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID23799785
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C4CCCCC4)cs3)CC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-18(2)32-22-11-9-20(10-12-22)25(30)29-15-13-19(14-16-29)24-27-23(17-33-24)26(31)28(3)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16H2,1-3H3
InChIKeyJRRJZFIQSZBERG-UHFFFAOYSA-N
XLogP5.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.65
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3541030
4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide
CID 3750618
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3689654
tert-butyl 4-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 23963991
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 4992401
[4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174632482
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558657
N-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3873768
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 23799785) is N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)N(C)C4CCCCC4)cs3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JRRJZFIQSZBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-18(2)32-22-11-9-20(10-12-22)25(30)29-15-13-19(14-16-29)24-27-23(17-33-24)26(31)28(3)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 469.65 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23799785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).