N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide

C19H24FN3O3 — CID 54733179

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCN2CCCCC2)C1
InChIInChI=1S/C19H24FN3O3/c20-15-6-4-14(5-7-15)12-21-18(25)16-13-23(19(26)17(16)24)11-10-22-8-2-1-3-9-22/h4-7,24H,1-3,8-13H2,(H,21,25)
InChIKeyRGMNZAYFDBBBQI-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.58
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide (PubChem CID 54733179) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
PubChem CID54733179
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCN2CCCCC2)C1
InChIInChI=1S/C19H24FN3O3/c20-15-6-4-14(5-7-15)12-21-18(25)16-13-23(19(26)17(16)24)11-10-22-8-2-1-3-9-22/h4-7,24H,1-3,8-13H2,(H,21,25)
InChIKeyRGMNZAYFDBBBQI-UHFFFAOYSA-N
XLogP1.58
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54704692
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
N-[[4-(3-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330583
3-[(4-cyclobutyloxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-1-(2-piperidin-1-ylethyl)urea
CID 156782379
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89480017
N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
N-[(4-fluorophenyl)methyl]-4-[(4-methyl-2,3-dioxopiperazin-1-yl)methyl]benzamide
CID 53135372
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
3-[(4-cyclobutyloxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 156782432
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637592
N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 54733961

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide (CID 54733179) is N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide is O=C(NCc1ccc(F)cc1)C1=C(O)C(=O)N(CCN2CCCCC2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide?
The InChIKey is RGMNZAYFDBBBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c20-15-6-4-14(5-7-15)12-21-18(25)16-13-23(19(26)17(16)24)11-10-22-8-2-1-3-9-22/h4-7,24H,1-3,8-13H2,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54733179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).