N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide

C18H20FN5O3 — CID 6724640

IUPACN-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1
InChIInChI=1S/C18H20FN5O3/c19-13-1-3-14(4-2-13)23-7-9-24(10-8-23)18(27)16(12-25)22-17(26)15-11-20-5-6-21-15/h1-6,11,16,25H,7-10,12H2,(H,22,26)/t16-/m0/s1
InChIKeyRKMDWSKBIXUSEB-INIZCTEOSA-N
MW373.39 g/mol
LogP0.06
Rot. Bonds5

About N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide

N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 6724640) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
PubChem CID6724640
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC NameN-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1
InChIInChI=1S/C18H20FN5O3/c19-13-1-3-14(4-2-13)23-7-9-24(10-8-23)18(27)16(12-25)22-17(26)15-11-20-5-6-21-15/h1-6,11,16,25H,7-10,12H2,(H,22,26)/t16-/m0/s1
InChIKeyRKMDWSKBIXUSEB-INIZCTEOSA-N
XLogP0.06
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 4660034
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6416152
N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723842
benzyl 4-[3-hydroxy-2-(pyrazine-2-carbonylamino)propanoyl]-1,4-diazepane-1-carboxylate
CID 3336506
N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 3586130
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 51895452
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 4190492
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 6724000
N-[(2S)-1-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-fluorobenzamide
CID 166402695
2,3,4,5,6-pentafluoro-N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 6724410
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 3276520
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 5096107

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 6724640) is N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide is O=C(N[C@@H](CO)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1.
What is the InChIKey of N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is RKMDWSKBIXUSEB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FN5O3/c19-13-1-3-14(4-2-13)23-7-9-24(10-8-23)18(27)16(12-25)22-17(26)15-11-20-5-6-21-15/h1-6,11,16,25H,7-10,12H2,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide?
N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 6724640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).