N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide

C28H32FN3O3 — CID 58042759

IUPACN-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4cccc(F)c4)cc3=O)cc2)CC1
InChIInChI=1S/C28H32FN3O3/c1-21(33)30-26-10-13-31(14-11-26)19-23-7-5-22(6-8-23)9-15-32-16-12-27(18-28(32)34)35-20-24-3-2-4-25(29)17-24/h2-8,12,16-18,26H,9-11,13-15,19-20H2,1H3,(H,30,33)
InChIKeyGVRYSYBSQZOPQX-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.91
Rot. Bonds9

About N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide

N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 58042759) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID58042759
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC NameN-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4cccc(F)c4)cc3=O)cc2)CC1
InChIInChI=1S/C28H32FN3O3/c1-21(33)30-26-10-13-31(14-11-26)19-23-7-5-22(6-8-23)9-15-32-16-12-27(18-28(32)34)35-20-24-3-2-4-25(29)17-24/h2-8,12,16-18,26H,9-11,13-15,19-20H2,1H3,(H,30,33)
InChIKeyGVRYSYBSQZOPQX-UHFFFAOYSA-N
XLogP3.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[4-[2-[4-(furan-2-ylmethoxy)-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 58042756
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110226600
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
2-[1-[[4-[2-[2-oxo-4-(thiophen-3-ylmethoxy)-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 90699863
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 10246762
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
ethane;N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 144836613
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 54424840
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (CID 58042759) is N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4cccc(F)c4)cc3=O)cc2)CC1.
What is the InChIKey of N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is GVRYSYBSQZOPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-21(33)30-26-10-13-31(14-11-26)19-23-7-5-22(6-8-23)9-15-32-16-12-27(18-28(32)34)35-20-24-3-2-4-25(29)17-24/h2-8,12,16-18,26H,9-11,13-15,19-20H2,1H3,(H,30,33).
What are the key properties of N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 477.58 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[2-[4-[(3-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 58042759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).