[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone

C16H19N3O2S — CID 53185117

IUPAC[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccsc3)CC2)cn1
InChIInChI=1S/C16H19N3O2S/c1-21-15-3-2-13(10-17-15)11-18-5-7-19(8-6-18)16(20)14-4-9-22-12-14/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyRWAURAKTNATENJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.11
Rot. Bonds4

About [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53185117) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID53185117
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccsc3)CC2)cn1
InChIInChI=1S/C16H19N3O2S/c1-21-15-3-2-13(10-17-15)11-18-5-7-19(8-6-18)16(20)14-4-9-22-12-14/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyRWAURAKTNATENJ-UHFFFAOYSA-N
XLogP2.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 1919175
5-(4-Methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one
CID 10571452
N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide
CID 2466273
N-(6-methoxy-3-pyridinyl)-2-thiophenecarboxamide
CID 2747402
US9776991, Example 30
CID 91801219
US9776991, Example 34
CID 135236077
(2-Ethoxy-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2311755
Thiophene-2-carboxylic acid [1-(4-methoxy-phenylcarbamoyl)-2-pyridin-3-yl-vinyl]-amide
CID 5442631
4-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-2-thiophenecarboxamide
CID 24982776
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 31816186

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 53185117) is [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone is COc1ccc(CN2CCN(C(=O)c3ccsc3)CC2)cn1.
What is the InChIKey of [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is RWAURAKTNATENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-15-3-2-13(10-17-15)11-18-5-7-19(8-6-18)16(20)14-4-9-22-12-14/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53185117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).