N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide

C23H28FN5O2 — CID 53384130

IUPACN-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccncc1)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28FN5O2/c24-19-3-5-20(6-4-19)26-23(31)22(18-7-9-25-10-8-18)29-15-13-27(14-16-29)17-21(30)28-11-1-2-12-28/h3-10,22H,1-2,11-17H2,(H,26,31)
InChIKeyUJPUUPZSNJGMIO-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.14
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide

N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide (PubChem CID 53384130) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide
PubChem CID53384130
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC NameN-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccncc1)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28FN5O2/c24-19-3-5-20(6-4-19)26-23(31)22(18-7-9-25-10-8-18)29-15-13-27(14-16-29)17-21(30)28-11-1-2-12-28/h3-10,22H,1-2,11-17H2,(H,26,31)
InChIKeyUJPUUPZSNJGMIO-UHFFFAOYSA-N
XLogP2.14
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide (CID 53384130) is N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide is O=C(Nc1ccc(F)cc1)C(c1ccncc1)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide?
The InChIKey is UJPUUPZSNJGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c24-19-3-5-20(6-4-19)26-23(31)22(18-7-9-25-10-8-18)29-15-13-27(14-16-29)17-21(30)28-11-1-2-12-28/h3-10,22H,1-2,11-17H2,(H,26,31).
What are the key properties of N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide?
N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide has a molecular weight of 425.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 53384130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).