2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide

C20H25N3O2S — CID 1436831

IUPAC2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15-5-2-3-7-18(15)20(25)22-16-8-10-23(11-9-16)14-19(24)21-13-17-6-4-12-26-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyZJPUOHNBNTZBMB-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.57
Rot. Bonds6

About 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 1436831) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID1436831
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15-5-2-3-7-18(15)20(25)22-16-8-10-23(11-9-16)14-19(24)21-13-17-6-4-12-26-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyZJPUOHNBNTZBMB-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide (CID 1436831) is 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(CC(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is ZJPUOHNBNTZBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-5-2-3-7-18(15)20(25)22-16-8-10-23(11-9-16)14-19(24)21-13-17-6-4-12-26-17/h2-7,12,16H,8-11,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 371.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 1436831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).