N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide

C25H28N2O4S — CID 46161824

IUPACN-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(OC)c3O)CC2)c1
InChIInChI=1S/C25H28N2O4S/c1-30-21-8-4-7-20(16-21)27(25(29)23-10-5-15-32-23)19-11-13-26(14-12-19)17-18-6-3-9-22(31-2)24(18)28/h3-10,15-16,19,28H,11-14,17H2,1-2H3
InChIKeyUTZWWYKTEZPIQH-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.78
Rot. Bonds7

About N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide

N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 46161824) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID46161824
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(OC)c3O)CC2)c1
InChIInChI=1S/C25H28N2O4S/c1-30-21-8-4-7-20(16-21)27(25(29)23-10-5-15-32-23)19-11-13-26(14-12-19)17-18-6-3-9-22(31-2)24(18)28/h3-10,15-16,19,28H,11-14,17H2,1-2H3
InChIKeyUTZWWYKTEZPIQH-UHFFFAOYSA-N
XLogP4.78
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
CID 42858031
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 46054931
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 42853268
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide (CID 46161824) is N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide is COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3cccc(OC)c3O)CC2)c1.
What is the InChIKey of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is UTZWWYKTEZPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-30-21-8-4-7-20(16-21)27(25(29)23-10-5-15-32-23)19-11-13-26(14-12-19)17-18-6-3-9-22(31-2)24(18)28/h3-10,15-16,19,28H,11-14,17H2,1-2H3.
What are the key properties of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46161824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).