N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide

C27H31FN4O3 — CID 25028849

IUPACN-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccc(F)cn4)cc3=O)cc2)CC1
InChIInChI=1S/C27H31FN4O3/c1-20(33)30-24-9-12-31(13-10-24)18-22-4-2-21(3-5-22)8-14-32-15-11-26(16-27(32)34)35-19-25-7-6-23(28)17-29-25/h2-7,11,15-17,24H,8-10,12-14,18-19H2,1H3,(H,30,33)
InChIKeyYDOWGALWWQKZLC-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.30
Rot. Bonds9

About N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide

N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 25028849) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID25028849
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC NameN-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccc(F)cn4)cc3=O)cc2)CC1
InChIInChI=1S/C27H31FN4O3/c1-20(33)30-24-9-12-31(13-10-24)18-22-4-2-21(3-5-22)8-14-32-15-11-26(16-27(32)34)35-19-25-7-6-23(28)17-29-25/h2-7,11,15-17,24H,8-10,12-14,18-19H2,1H3,(H,30,33)
InChIKeyYDOWGALWWQKZLC-UHFFFAOYSA-N
XLogP3.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide (CID 25028849) is N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccc(F)cn4)cc3=O)cc2)CC1.
What is the InChIKey of N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is YDOWGALWWQKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-20(33)30-24-9-12-31(13-10-24)18-22-4-2-21(3-5-22)8-14-32-15-11-26(16-27(32)34)35-19-25-7-6-23(28)17-29-25/h2-7,11,15-17,24H,8-10,12-14,18-19H2,1H3,(H,30,33).
What are the key properties of N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-[2-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 478.57 g/mol, XLogP of 3.30, 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-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]ethyl]phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 25028849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).