N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide

C24H25N3O3S — CID 55952791

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)n1
InChIInChI=1S/C24H25N3O3S/c1-17-16-31-24(25-17)26-22(28)19-11-13-27(14-12-19)23(29)20-9-7-18(8-10-20)15-30-21-5-3-2-4-6-21/h2-10,16,19H,11-15H2,1H3,(H,25,26,28)
InChIKeyBXHAZBLXHDMOHZ-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.52
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55952791) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55952791
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)n1
InChIInChI=1S/C24H25N3O3S/c1-17-16-31-24(25-17)26-22(28)19-11-13-27(14-12-19)23(29)20-9-7-18(8-10-20)15-30-21-5-3-2-4-6-21/h2-10,16,19H,11-15H2,1H3,(H,25,26,28)
InChIKeyBXHAZBLXHDMOHZ-UHFFFAOYSA-N
XLogP4.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951510
1-(2,4-diphenyl-1,3-thiazole-5-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951643
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
CID 55952664
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxamide
CID 55952538
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide (CID 55952791) is N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3ccc(COc4ccccc4)cc3)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BXHAZBLXHDMOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-17-16-31-24(25-17)26-22(28)19-11-13-27(14-12-19)23(29)20-9-7-18(8-10-20)15-30-21-5-3-2-4-6-21/h2-10,16,19H,11-15H2,1H3,(H,25,26,28).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55952791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).