N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide

C21H22FN5O2 — CID 51895452

IUPACN-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1
InChIInChI=1S/C21H22FN5O2/c22-16-3-5-17(6-4-16)26-9-11-27(12-10-26)19(20-2-1-13-29-20)15-25-21(28)18-14-23-7-8-24-18/h1-8,13-14,19H,9-12,15H2,(H,25,28)/t19-/m0/s1
InChIKeyHNLICSJSMWRZGD-IBGZPJMESA-N
MW395.44 g/mol
LogP2.50
Rot. Bonds6

About N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide

N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 51895452) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
PubChem CID51895452
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1
InChIInChI=1S/C21H22FN5O2/c22-16-3-5-17(6-4-16)26-9-11-27(12-10-26)19(20-2-1-13-29-20)15-25-21(28)18-14-23-7-8-24-18/h1-8,13-14,19H,9-12,15H2,(H,25,28)/t19-/m0/s1
InChIKeyHNLICSJSMWRZGD-IBGZPJMESA-N
XLogP2.50
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809868
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 41234298
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234278
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
4-ethoxy-N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234704
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809859

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide (CID 51895452) is N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide is O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1cnccn1.
What is the InChIKey of N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is HNLICSJSMWRZGD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-16-3-5-17(6-4-16)26-9-11-27(12-10-26)19(20-2-1-13-29-20)15-25-21(28)18-14-23-7-8-24-18/h1-8,13-14,19H,9-12,15H2,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide?
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51895452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).