[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone

C17H20N2O2S — CID 22678517

IUPAC[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ncccc1CN1CCC(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O2S/c1-21-17-14(4-2-8-18-17)12-19-9-6-13(7-10-19)16(20)15-5-3-11-22-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyYEFMJWALDRYHCZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.25
Rot. Bonds5

About [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone

[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 22678517) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone
PubChem CID22678517
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone
SMILESCOc1ncccc1CN1CCC(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O2S/c1-21-17-14(4-2-8-18-17)12-19-9-6-13(7-10-19)16(20)15-5-3-11-22-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyYEFMJWALDRYHCZ-UHFFFAOYSA-N
XLogP3.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone (CID 22678517) is [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone is COc1ncccc1CN1CCC(C(=O)c2cccs2)CC1.
What is the InChIKey of [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is YEFMJWALDRYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-17-14(4-2-8-18-17)12-19-9-6-13(7-10-19)16(20)15-5-3-11-22-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone?
[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 22678517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).