N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide

C17H19ClFN5O2 — CID 91828408

IUPACN-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ncc[nH]c2=O)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN5O2/c18-13-11-12(1-2-14(13)19)22-15(25)3-6-23-7-9-24(10-8-23)16-17(26)21-5-4-20-16/h1-2,4-5,11H,3,6-10H2,(H,21,26)(H,22,25)
InChIKeyRNVQHDAEUBLYRC-UHFFFAOYSA-N
MW379.82 g/mol
LogP1.71
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide (PubChem CID 91828408) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide
PubChem CID91828408
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ncc[nH]c2=O)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN5O2/c18-13-11-12(1-2-14(13)19)22-15(25)3-6-23-7-9-24(10-8-23)16-17(26)21-5-4-20-16/h1-2,4-5,11H,3,6-10H2,(H,21,26)(H,22,25)
InChIKeyRNVQHDAEUBLYRC-UHFFFAOYSA-N
XLogP1.71
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide (CID 91828408) is N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide is O=C(CCN1CCN(c2ncc[nH]c2=O)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide?
The InChIKey is RNVQHDAEUBLYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c18-13-11-12(1-2-14(13)19)22-15(25)3-6-23-7-9-24(10-8-23)16-17(26)21-5-4-20-16/h1-2,4-5,11H,3,6-10H2,(H,21,26)(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide has a molecular weight of 379.82 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 91828408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).