N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide

C24H32FN5O4 — CID 30608981

IUPACN'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H32FN5O4/c25-19-3-5-20(6-4-19)29-9-11-30(12-10-29)21(22-2-1-15-34-22)18-27-24(32)23(31)26-7-8-28-13-16-33-17-14-28/h1-6,15,21H,7-14,16-18H2,(H,26,31)(H,27,32)/t21-/m0/s1
InChIKeyIMWSYJYNIHEUIW-NRFANRHFSA-N
MW473.55 g/mol
LogP0.85
Rot. Bonds8

About N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 30608981) has the molecular formula C24H32FN5O4 and a molecular weight of 473.55 g/mol. Its IUPAC name is N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID30608981
Molecular FormulaC24H32FN5O4
Molecular Weight473.55 g/mol
Exact Mass473.24
IUPAC NameN'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H32FN5O4/c25-19-3-5-20(6-4-19)29-9-11-30(12-10-29)21(22-2-1-15-34-22)18-27-24(32)23(31)26-7-8-28-13-16-33-17-14-28/h1-6,15,21H,7-14,16-18H2,(H,26,31)(H,27,32)/t21-/m0/s1
InChIKeyIMWSYJYNIHEUIW-NRFANRHFSA-N
XLogP0.85
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310
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-[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]acetamide
CID 7162857
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
CID 41234280
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234672
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16810737
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 30608981) is N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is IMWSYJYNIHEUIW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32FN5O4/c25-19-3-5-20(6-4-19)29-9-11-30(12-10-29)21(22-2-1-15-34-22)18-27-24(32)23(31)26-7-8-28-13-16-33-17-14-28/h1-6,15,21H,7-14,16-18H2,(H,26,31)(H,27,32)/t21-/m0/s1.
What are the key properties of N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 473.55 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 30608981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).