N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide

C24H26FN5O3 — CID 41234298

IUPACN'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN5O3/c25-18-6-8-20(9-7-18)29-11-13-30(14-12-29)21(22-5-3-15-33-22)17-28-24(32)23(31)27-16-19-4-1-2-10-26-19/h1-10,15,21H,11-14,16-17H2,(H,27,31)(H,28,32)/t21-/m1/s1
InChIKeyRLWBYVYMKRSWJW-OAQYLSRUSA-N
MW451.50 g/mol
LogP2.11
Rot. Bonds7

About N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide

N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 41234298) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide
PubChem CID41234298
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC NameN'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN5O3/c25-18-6-8-20(9-7-18)29-11-13-30(14-12-29)21(22-5-3-15-33-22)17-28-24(32)23(31)27-16-19-4-1-2-10-26-19/h1-10,15,21H,11-14,16-17H2,(H,27,31)(H,28,32)/t21-/m1/s1
InChIKeyRLWBYVYMKRSWJW-OAQYLSRUSA-N
XLogP2.11
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234278
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
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809859
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 51895452
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
CID 41234280
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide (CID 41234298) is N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is RLWBYVYMKRSWJW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-18-6-8-20(9-7-18)29-11-13-30(14-12-29)21(22-5-3-15-33-22)17-28-24(32)23(31)27-16-19-4-1-2-10-26-19/h1-10,15,21H,11-14,16-17H2,(H,27,31)(H,28,32)/t21-/m1/s1.
What are the key properties of N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide?
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 451.50 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 41234298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).