N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide

C19H22N2O4S — CID 108555881

IUPACN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O4S/c1-24-15-10-13(11-16(12-15)25-2)19(23)21-7-5-14(6-8-21)20-18(22)17-4-3-9-26-17/h3-4,9-12,14H,5-8H2,1-2H3,(H,20,22)
InChIKeyOUZLCORJUYLFOO-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 108555881) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID108555881
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O4S/c1-24-15-10-13(11-16(12-15)25-2)19(23)21-7-5-14(6-8-21)20-18(22)17-4-3-9-26-17/h3-4,9-12,14H,5-8H2,1-2H3,(H,20,22)
InChIKeyOUZLCORJUYLFOO-UHFFFAOYSA-N
XLogP2.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555927
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108564100
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 46020204

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide (CID 108555881) is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is OUZLCORJUYLFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-24-15-10-13(11-16(12-15)25-2)19(23)21-7-5-14(6-8-21)20-18(22)17-4-3-9-26-17/h3-4,9-12,14H,5-8H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 108555881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).