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

C28H30FN5O3 — CID 12006004

IUPACN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN5O3/c29-21-7-9-22(10-8-21)33-13-15-34(16-14-33)25(26-6-3-17-37-26)19-32-28(36)27(35)30-12-11-20-18-31-24-5-2-1-4-23(20)24/h1-10,17-18,25,31H,11-16,19H2,(H,30,35)(H,32,36)
InChIKeyLCHUDMHVPFINHM-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.24
Rot. Bonds8

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

N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 12006004) has the molecular formula C28H30FN5O3 and a molecular weight of 503.58 g/mol. Its IUPAC name is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID12006004
Molecular FormulaC28H30FN5O3
Molecular Weight503.58 g/mol
Exact Mass503.23
IUPAC NameN'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN5O3/c29-21-7-9-22(10-8-21)33-13-15-34(16-14-33)25(26-6-3-17-37-26)19-32-28(36)27(35)30-12-11-20-18-31-24-5-2-1-4-23(20)24/h1-10,17-18,25,31H,11-16,19H2,(H,30,35)(H,32,36)
InChIKeyLCHUDMHVPFINHM-UHFFFAOYSA-N
XLogP3.24
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 40785289
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-(2-methoxyphenyl)ethyl]oxamide
CID 41234286
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
CID 41234280
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-chlorophenyl)ethyl]-N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234672
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
CID 4807743
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 12006004) is N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is LCHUDMHVPFINHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3/c29-21-7-9-22(10-8-21)33-13-15-34(16-14-33)25(26-6-3-17-37-26)19-32-28(36)27(35)30-12-11-20-18-31-24-5-2-1-4-23(20)24/h1-10,17-18,25,31H,11-16,19H2,(H,30,35)(H,32,36).
What are the key properties of N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 503.58 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 12006004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).