1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C21H26N2O4S — CID 46472906

IUPAC1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3sccc3C)CC2)c1
InChIInChI=1S/C21H26N2O4S/c1-14-6-9-28-19(14)13-22-20(24)15-4-7-23(8-5-15)21(25)16-10-17(26-2)12-18(11-16)27-3/h6,9-12,15H,4-5,7-8,13H2,1-3H3,(H,22,24)
InChIKeyAKGAOGMWLZTAFS-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.24
Rot. Bonds6

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

1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 46472906) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID46472906
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3sccc3C)CC2)c1
InChIInChI=1S/C21H26N2O4S/c1-14-6-9-28-19(14)13-22-20(24)15-4-7-23(8-5-15)21(25)16-10-17(26-2)12-18(11-16)27-3/h6,9-12,15H,4-5,7-8,13H2,1-3H3,(H,22,24)
InChIKeyAKGAOGMWLZTAFS-UHFFFAOYSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
N-[(2,4-dichlorophenyl)methyl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126060422
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 46478560
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
(4-methoxyphenyl)-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25473895
1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 46472676
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 55719644

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 46472906) is 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3sccc3C)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is AKGAOGMWLZTAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-6-9-28-19(14)13-22-20(24)15-4-7-23(8-5-15)21(25)16-10-17(26-2)12-18(11-16)27-3/h6,9-12,15H,4-5,7-8,13H2,1-3H3,(H,22,24).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46472906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).