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

C19H24N2OS — CID 24793203

IUPAC[3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C19H24N2OS/c1-15-10-12-23-18(15)19(22)21-11-6-9-17(14-21)20(2)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-14H2,1-2H3
InChIKeyXMGMCHCYJKQRJP-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.79
Rot. Bonds4

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

[3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 24793203) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID24793203
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C19H24N2OS/c1-15-10-12-23-18(15)19(22)21-11-6-9-17(14-21)20(2)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-14H2,1-2H3
InChIKeyXMGMCHCYJKQRJP-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 24793203) is [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCCC(N(C)Cc2ccccc2)C1.
What is the InChIKey of [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is XMGMCHCYJKQRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-10-12-23-18(15)19(22)21-11-6-9-17(14-21)20(2)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-14H2,1-2H3.
What are the key properties of [3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[3-[benzyl(methyl)amino]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 328.48 g/mol, XLogP of 3.79, 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]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 24793203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).