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

C26H31N3O4 — CID 58042756

IUPACN-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccco4)cc3=O)cc2)CC1
InChIInChI=1S/C26H31N3O4/c1-20(30)27-23-9-12-28(13-10-23)18-22-6-4-21(5-7-22)8-14-29-15-11-24(17-26(29)31)33-19-25-3-2-16-32-25/h2-7,11,15-17,23H,8-10,12-14,18-19H2,1H3,(H,27,30)
InChIKeyQJLWNLISGQHTPZ-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.36
Rot. Bonds9

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

N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 58042756) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID58042756
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccco4)cc3=O)cc2)CC1
InChIInChI=1S/C26H31N3O4/c1-20(30)27-23-9-12-28(13-10-23)18-22-6-4-21(5-7-22)8-14-29-15-11-24(17-26(29)31)33-19-25-3-2-16-32-25/h2-7,11,15-17,23H,8-10,12-14,18-19H2,1H3,(H,27,30)
InChIKeyQJLWNLISGQHTPZ-UHFFFAOYSA-N
XLogP3.36
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 58042759
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
1-cyclopentyl-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054414
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354056
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16896180
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110054053
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
CID 122563843
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55958505
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 54424840

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (CID 58042756) is N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccco4)cc3=O)cc2)CC1.
What is the InChIKey of N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is QJLWNLISGQHTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-20(30)27-23-9-12-28(13-10-23)18-22-6-4-21(5-7-22)8-14-29-15-11-24(17-26(29)31)33-19-25-3-2-16-32-25/h2-7,11,15-17,23H,8-10,12-14,18-19H2,1H3,(H,27,30).
What are the key properties of N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 449.55 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 58042756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).