2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C20H23N3O2S — CID 47086830

IUPAC2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H23N3O2S/c21-12-16-3-5-18(6-4-16)25-15-20(24)22-13-17-7-9-23(10-8-17)14-19-2-1-11-26-19/h1-6,11,17H,7-10,13-15H2,(H,22,24)
InChIKeyJDSCTLCTWYZNAV-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.03
Rot. Bonds7

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

2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 47086830) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID47086830
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H23N3O2S/c21-12-16-3-5-18(6-4-16)25-15-20(24)22-13-17-7-9-23(10-8-17)14-19-2-1-11-26-19/h1-6,11,17H,7-10,13-15H2,(H,22,24)
InChIKeyJDSCTLCTWYZNAV-UHFFFAOYSA-N
XLogP3.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056925
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 49056126
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 94799999
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 47086830) is 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is N#Cc1ccc(OCC(=O)NCC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is JDSCTLCTWYZNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c21-12-16-3-5-18(6-4-16)25-15-20(24)22-13-17-7-9-23(10-8-17)14-19-2-1-11-26-19/h1-6,11,17H,7-10,13-15H2,(H,22,24).
What are the key properties of 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 47086830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).