2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide

C26H31N3O3S — CID 90699863

IUPAC2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2ccc(CCn3ccc(OCc4ccsc4)cc3=O)cc2)CC1
InChIInChI=1S/C26H31N3O3S/c27-25(30)15-21-5-10-28(11-6-21)17-22-3-1-20(2-4-22)7-12-29-13-8-24(16-26(29)31)32-18-23-9-14-33-19-23/h1-4,8-9,13-14,16,19,21H,5-7,10-12,15,17-18H2,(H2,27,30)
InChIKeyXMMYEYFYAQQPHO-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.82
Rot. Bonds10

About 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide

2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 90699863) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID90699863
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2ccc(CCn3ccc(OCc4ccsc4)cc3=O)cc2)CC1
InChIInChI=1S/C26H31N3O3S/c27-25(30)15-21-5-10-28(11-6-21)17-22-3-1-20(2-4-22)7-12-29-13-8-24(16-26(29)31)32-18-23-9-14-33-19-23/h1-4,8-9,13-14,16,19,21H,5-7,10-12,15,17-18H2,(H2,27,30)
InChIKeyXMMYEYFYAQQPHO-UHFFFAOYSA-N
XLogP3.82
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (CID 90699863) is 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(Cc2ccc(CCn3ccc(OCc4ccsc4)cc3=O)cc2)CC1.
What is the InChIKey of 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is XMMYEYFYAQQPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c27-25(30)15-21-5-10-28(11-6-21)17-22-3-1-20(2-4-22)7-12-29-13-8-24(16-26(29)31)32-18-23-9-14-33-19-23/h1-4,8-9,13-14,16,19,21H,5-7,10-12,15,17-18H2,(H2,27,30).
What are the key properties of 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 465.62 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 90699863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).