1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H23N3O4S — CID 46471788

IUPAC1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)c1
InChIInChI=1S/C19H23N3O4S/c1-12-11-27-19(20-12)21-17(23)13-4-6-22(7-5-13)18(24)14-8-15(25-2)10-16(9-14)26-3/h8-11,13H,4-7H2,1-3H3,(H,20,21,23)
InChIKeyGKYQIAHDPNLPOG-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.96
Rot. Bonds5

About 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 46471788) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID46471788
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)c1
InChIInChI=1S/C19H23N3O4S/c1-12-11-27-19(20-12)21-17(23)13-4-6-22(7-5-13)18(24)14-8-15(25-2)10-16(9-14)26-3/h8-11,13H,4-7H2,1-3H3,(H,20,21,23)
InChIKeyGKYQIAHDPNLPOG-UHFFFAOYSA-N
XLogP2.96
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951124
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 55796103
1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951510
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076
1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915326
1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952035
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
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
CID 55952664

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 46471788) is 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is GKYQIAHDPNLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-12-11-27-19(20-12)21-17(23)13-4-6-22(7-5-13)18(24)14-8-15(25-2)10-16(9-14)26-3/h8-11,13H,4-7H2,1-3H3,(H,20,21,23).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46471788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).