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

C25H33FN4O3 — CID 16809859

IUPACN'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C25H33FN4O3/c26-19-9-11-21(12-10-19)29-13-15-30(16-14-29)22(23-8-5-17-33-23)18-27-24(31)25(32)28-20-6-3-1-2-4-7-20/h5,8-12,17,20,22H,1-4,6-7,13-16,18H2,(H,27,31)(H,28,32)
InChIKeyJFPGBXVTEUAQHH-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.24
Rot. Bonds6

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

N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide (PubChem CID 16809859) has the molecular formula C25H33FN4O3 and a molecular weight of 456.56 g/mol. Its IUPAC name is N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
PubChem CID16809859
Molecular FormulaC25H33FN4O3
Molecular Weight456.56 g/mol
Exact Mass456.25
IUPAC NameN'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C25H33FN4O3/c26-19-9-11-21(12-10-19)29-13-15-30(16-14-29)22(23-8-5-17-33-23)18-27-24(31)25(32)28-20-6-3-1-2-4-7-20/h5,8-12,17,20,22H,1-4,6-7,13-16,18H2,(H,27,31)(H,28,32)
InChIKeyJFPGBXVTEUAQHH-UHFFFAOYSA-N
XLogP3.24
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 16809755
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217165
N'-cyclopentyl-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 41234806
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-(2-methylpropyl)oxamide
CID 7162865
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-[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'-[(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'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 41234298

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide (CID 16809859) is N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide is O=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is JFPGBXVTEUAQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O3/c26-19-9-11-21(12-10-19)29-13-15-30(16-14-29)22(23-8-5-17-33-23)18-27-24(31)25(32)28-20-6-3-1-2-4-7-20/h5,8-12,17,20,22H,1-4,6-7,13-16,18H2,(H,27,31)(H,28,32).
What are the key properties of N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide?
N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 456.56 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 16809859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).