[3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone

C18H21ClN2OS — CID 24794192

IUPAC[3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESCN(Cc1ccccc1)C1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C18H21ClN2OS/c1-20(12-14-6-3-2-4-7-14)15-8-5-11-21(13-15)18(22)16-9-10-17(19)23-16/h2-4,6-7,9-10,15H,5,8,11-13H2,1H3
InChIKeyWQHGZBFOVDTXEX-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.14
Rot. Bonds4

About [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone

[3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 24794192) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID24794192
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name[3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESCN(Cc1ccccc1)C1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C18H21ClN2OS/c1-20(12-14-6-3-2-4-7-14)15-8-5-11-21(13-15)18(22)16-9-10-17(19)23-16/h2-4,6-7,9-10,15H,5,8,11-13H2,1H3
InChIKeyWQHGZBFOVDTXEX-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone (CID 24794192) is [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone is CN(Cc1ccccc1)C1CCCN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is WQHGZBFOVDTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-20(12-14-6-3-2-4-7-14)15-8-5-11-21(13-15)18(22)16-9-10-17(19)23-16/h2-4,6-7,9-10,15H,5,8,11-13H2,1H3.
What are the key properties of [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
[3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 348.90 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[benzyl(methyl)amino]piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 24794192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).