N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide

C13H19ClN2O2S — CID 55252348

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)COC1CCNCC1
InChIInChI=1S/C13H19ClN2O2S/c1-16(8-11-2-3-12(14)19-11)13(17)9-18-10-4-6-15-7-5-10/h2-3,10,15H,4-9H2,1H3
InChIKeyZDSHRPCODAFIPG-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.13
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide (PubChem CID 55252348) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
PubChem CID55252348
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)COC1CCNCC1
InChIInChI=1S/C13H19ClN2O2S/c1-16(8-11-2-3-12(14)19-11)13(17)9-18-10-4-6-15-7-5-10/h2-3,10,15H,4-9H2,1H3
InChIKeyZDSHRPCODAFIPG-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-piperidin-4-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 63876359
N-[(4-chlorophenyl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877600
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876041
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
N-methyl-N-[(2-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875501
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-nitrocyclopropane-1-carboxylate
CID 55999835
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 78791448
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide (CID 55252348) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide is CN(Cc1ccc(Cl)s1)C(=O)COC1CCNCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
The InChIKey is ZDSHRPCODAFIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-16(8-11-2-3-12(14)19-11)13(17)9-18-10-4-6-15-7-5-10/h2-3,10,15H,4-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide has a molecular weight of 302.83 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 55252348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).