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

C26H28N2O4S — CID 46472551

IUPAC1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NC(c3ccccc3)c3cccs3)CC2)c1
InChIInChI=1S/C26H28N2O4S/c1-31-21-15-20(16-22(17-21)32-2)26(30)28-12-10-19(11-13-28)25(29)27-24(23-9-6-14-33-23)18-7-4-3-5-8-18/h3-9,14-17,19,24H,10-13H2,1-2H3,(H,27,29)
InChIKeyBHQIPLDDIMATQK-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.52
Rot. Bonds7

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

1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 46472551) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID46472551
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NC(c3ccccc3)c3cccs3)CC2)c1
InChIInChI=1S/C26H28N2O4S/c1-31-21-15-20(16-22(17-21)32-2)26(30)28-12-10-19(11-13-28)25(29)27-24(23-9-6-14-33-23)18-7-4-3-5-8-18/h3-9,14-17,19,24H,10-13H2,1-2H3,(H,27,29)
InChIKeyBHQIPLDDIMATQK-UHFFFAOYSA-N
XLogP4.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 120505350
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 46655706
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-(3,5-dimethoxybenzoyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 55759173
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555881
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 17488923

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide (CID 46472551) is 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC(c3ccccc3)c3cccs3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is BHQIPLDDIMATQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-31-21-15-20(16-22(17-21)32-2)26(30)28-12-10-19(11-13-28)25(29)27-24(23-9-6-14-33-23)18-7-4-3-5-8-18/h3-9,14-17,19,24H,10-13H2,1-2H3,(H,27,29).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.52, 7 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-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46472551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).