2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

C17H29N3OS — CID 95981462

IUPAC2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCN1CC[C@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C
InChIInChI=1S/C17H29N3OS/c1-5-20-9-8-15(10-13(20)2)19(4)12-17(21)18-11-16-7-6-14(3)22-16/h6-7,13,15H,5,8-12H2,1-4H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyZSJRLANZGISHGH-ZFWWWQNUSA-N
MW323.51 g/mol
LogP2.48
Rot. Bonds6

About 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 95981462) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID95981462
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCN1CC[C@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C
InChIInChI=1S/C17H29N3OS/c1-5-20-9-8-15(10-13(20)2)19(4)12-17(21)18-11-16-7-6-14(3)22-16/h6-7,13,15H,5,8-12H2,1-4H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyZSJRLANZGISHGH-ZFWWWQNUSA-N
XLogP2.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-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-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 102555498
3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62057057
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 47043676
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
4-amino-N-(1-ethyl-2-methylpiperidin-4-yl)-N-methylquinazoline-7-carboxamide
CID 155952674

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 95981462) is 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide is CCN1CC[C@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C.
What is the InChIKey of 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is ZSJRLANZGISHGH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-5-20-9-8-15(10-13(20)2)19(4)12-17(21)18-11-16-7-6-14(3)22-16/h6-7,13,15H,5,8-12H2,1-4H3,(H,18,21)/t13-,15-/m0/s1.
What are the key properties of 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 323.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,4S)-1-ethyl-2-methylpiperidin-4-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 95981462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).