N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C25H30FN3O4 — CID 71938655

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)cc1F
InChIInChI=1S/C25H30FN3O4/c1-32-23-9-4-18(15-22(23)26)16-28-13-10-19(11-14-28)27-24(30)17-33-21-7-5-20(6-8-21)29-12-2-3-25(29)31/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,27,30)
InChIKeyFVOFRWYOAWQPDZ-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.12
Rot. Bonds8

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 71938655) has the molecular formula C25H30FN3O4 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID71938655
Molecular FormulaC25H30FN3O4
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)cc1F
InChIInChI=1S/C25H30FN3O4/c1-32-23-9-4-18(15-22(23)26)16-28-13-10-19(11-14-28)27-24(30)17-33-21-7-5-20(6-8-21)29-12-2-3-25(29)31/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,27,30)
InChIKeyFVOFRWYOAWQPDZ-UHFFFAOYSA-N
XLogP3.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 75404732
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55959144
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78901883
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55957752
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 124687769
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27446204
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 71938655) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is COc1ccc(CN2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is FVOFRWYOAWQPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4/c1-32-23-9-4-18(15-22(23)26)16-28-13-10-19(11-14-28)27-24(30)17-33-21-7-5-20(6-8-21)29-12-2-3-25(29)31/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,27,30).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 455.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 71938655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).