N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide

C27H31FN4O3 — CID 41234280

IUPACN'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H31FN4O3/c28-22-10-12-23(13-11-22)31-15-17-32(18-16-31)24(25-9-5-19-35-25)20-30-27(34)26(33)29-14-4-8-21-6-2-1-3-7-21/h1-3,5-7,9-13,19,24H,4,8,14-18,20H2,(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyMUMXFKNUIHRPHP-DEOSSOPVSA-N
MW478.57 g/mol
LogP3.15
Rot. Bonds9

About N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide

N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide (PubChem CID 41234280) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
PubChem CID41234280
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC NameN'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H31FN4O3/c28-22-10-12-23(13-11-22)31-15-17-32(18-16-31)24(25-9-5-19-35-25)20-30-27(34)26(33)29-14-4-8-21-6-2-1-3-7-21/h1-3,5-7,9-13,19,24H,4,8,14-18,20H2,(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyMUMXFKNUIHRPHP-DEOSSOPVSA-N
XLogP3.15
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310
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-[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'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41234286
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 22517332
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162621
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30608981
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 12006004
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide (CID 41234280) is N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide is O=C(NCCCc1ccccc1)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-(3-phenylpropyl)oxamide?
The InChIKey is MUMXFKNUIHRPHP-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H31FN4O3/c28-22-10-12-23(13-11-22)31-15-17-32(18-16-31)24(25-9-5-19-35-25)20-30-27(34)26(33)29-14-4-8-21-6-2-1-3-7-21/h1-3,5-7,9-13,19,24H,4,8,14-18,20H2,(H,29,33)(H,30,34)/t24-/m0/s1.
What are the key properties of N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide?
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 478.57 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 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-(3-phenylpropyl)oxamide is sourced from PubChem (CID 41234280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).