N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide

C18H25N3O4S — CID 119330522

IUPACN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C3CSCN3)CC2)cc1OC
InChIInChI=1S/C18H25N3O4S/c1-24-15-4-3-12(9-16(15)25-2)18(23)21-7-5-13(6-8-21)20-17(22)14-10-26-11-19-14/h3-4,9,13-14,19H,5-8,10-11H2,1-2H3,(H,20,22)
InChIKeyPTIKRAHTWNIPCQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.09
Rot. Bonds5

About N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119330522) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID119330522
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C3CSCN3)CC2)cc1OC
InChIInChI=1S/C18H25N3O4S/c1-24-15-4-3-12(9-16(15)25-2)18(23)21-7-5-13(6-8-21)20-17(22)14-10-26-11-19-14/h3-4,9,13-14,19H,5-8,10-11H2,1-2H3,(H,20,22)
InChIKeyPTIKRAHTWNIPCQ-UHFFFAOYSA-N
XLogP1.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552495
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155957395
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide (CID 119330522) is N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2CCC(NC(=O)C3CSCN3)CC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PTIKRAHTWNIPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-24-15-4-3-12(9-16(15)25-2)18(23)21-7-5-13(6-8-21)20-17(22)14-10-26-11-19-14/h3-4,9,13-14,19H,5-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide?
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119330522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).