2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C21H28N2O3S — CID 16896261

IUPAC2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1OC
InChIInChI=1S/C21H28N2O3S/c1-25-19-6-5-17(12-20(19)26-2)13-21(24)22-14-16-7-9-23(10-8-16)15-18-4-3-11-27-18/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,22,24)
InChIKeyCOISXSQGEUXIMD-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.34
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 16896261) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID16896261
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1OC
InChIInChI=1S/C21H28N2O3S/c1-25-19-6-5-17(12-20(19)26-2)13-21(24)22-14-16-7-9-23(10-8-16)15-18-4-3-11-27-18/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,22,24)
InChIKeyCOISXSQGEUXIMD-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N'-(2,5-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887339
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964602
N'-(5-chloro-2-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887407
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964547
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
4-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645446
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 16896261) is 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is COc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is COISXSQGEUXIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-25-19-6-5-17(12-20(19)26-2)13-21(24)22-14-16-7-9-23(10-8-16)15-18-4-3-11-27-18/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 16896261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).