N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride

C14H23ClN2OS — CID 119689284

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCc1ccsc1CN(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-5-8-18-13(11)10-16(2)14(17)9-12-3-6-15-7-4-12;/h5,8,12,15H,3-4,6-7,9-10H2,1-2H3;1H
InChIKeyWKEBENVRQGLACR-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119689284) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119689284
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
SMILESCc1ccsc1CN(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-5-8-18-13(11)10-16(2)14(17)9-12-3-6-15-7-4-12;/h5,8,12,15H,3-4,6-7,9-10H2,1-2H3;1H
InChIKeyWKEBENVRQGLACR-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride (CID 119689284) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride is Cc1ccsc1CN(C)C(=O)CC1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is WKEBENVRQGLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-11-5-8-18-13(11)10-16(2)14(17)9-12-3-6-15-7-4-12;/h5,8,12,15H,3-4,6-7,9-10H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119689284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).