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

C18H22N2O2S — CID 22678342

IUPAC2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone
SMILESCOc1ncccc1CN1CCC(CC(=O)c2cccs2)CC1
InChIInChI=1S/C18H22N2O2S/c1-22-18-15(4-2-8-19-18)13-20-9-6-14(7-10-20)12-16(21)17-5-3-11-23-17/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyMPXZAXAGPOVISK-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.64
Rot. Bonds6

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

2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone (PubChem CID 22678342) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone
PubChem CID22678342
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone
SMILESCOc1ncccc1CN1CCC(CC(=O)c2cccs2)CC1
InChIInChI=1S/C18H22N2O2S/c1-22-18-15(4-2-8-19-18)13-20-9-6-14(7-10-20)12-16(21)17-5-3-11-23-17/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyMPXZAXAGPOVISK-UHFFFAOYSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone (CID 22678342) is 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone is COc1ncccc1CN1CCC(CC(=O)c2cccs2)CC1.
What is the InChIKey of 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone?
The InChIKey is MPXZAXAGPOVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-18-15(4-2-8-19-18)13-20-9-6-14(7-10-20)12-16(21)17-5-3-11-23-17/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3.
What are the key properties of 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone?
2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone has a molecular weight of 330.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 22678342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).