N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide

C19H25FN4O5 — CID 57498594

IUPACN-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide
SMILESCC(=O)NCN1C(=O)C(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)CC1O
InChIInChI=1S/C19H25FN4O5/c1-12(26)21-11-24-17(27)9-14(19(24)29)13-2-3-16(15(20)8-13)22-4-6-23(7-5-22)18(28)10-25/h2-3,8,14,17,25,27H,4-7,9-11H2,1H3,(H,21,26)
InChIKeyBGKAOCAKTNCIFV-UHFFFAOYSA-N
MW408.43 g/mol
LogP-0.81
Rot. Bonds5

About N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide (PubChem CID 57498594) has the molecular formula C19H25FN4O5 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide
PubChem CID57498594
Molecular FormulaC19H25FN4O5
Molecular Weight408.43 g/mol
Exact Mass408.18
IUPAC NameN-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide
SMILESCC(=O)NCN1C(=O)C(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)CC1O
InChIInChI=1S/C19H25FN4O5/c1-12(26)21-11-24-17(27)9-14(19(24)29)13-2-3-16(15(20)8-13)22-4-6-23(7-5-22)18(28)10-25/h2-3,8,14,17,25,27H,4-7,9-11H2,1H3,(H,21,26)
InChIKeyBGKAOCAKTNCIFV-UHFFFAOYSA-N
XLogP-0.81
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]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-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide (CID 57498594) is N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide is CC(=O)NCN1C(=O)C(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)CC1O.
What is the InChIKey of N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide?
The InChIKey is BGKAOCAKTNCIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O5/c1-12(26)21-11-24-17(27)9-14(19(24)29)13-2-3-16(15(20)8-13)22-4-6-23(7-5-22)18(28)10-25/h2-3,8,14,17,25,27H,4-7,9-11H2,1H3,(H,21,26).
What are the key properties of N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide has a molecular weight of 408.43 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-5-hydroxy-2-oxopyrrolidin-1-yl]methyl]acetamide is sourced from PubChem (CID 57498594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).