N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide

C23H30N4O3 — CID 16809755

IUPACN'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C23H30N4O3/c28-22(23(29)25-18-7-4-5-8-18)24-17-20(21-11-6-16-30-21)27-14-12-26(13-15-27)19-9-2-1-3-10-19/h1-3,6,9-11,16,18,20H,4-5,7-8,12-15,17H2,(H,24,28)(H,25,29)
InChIKeyJXOHVMKHIUMKBM-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.32
Rot. Bonds6

About N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide

N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide (PubChem CID 16809755) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
PubChem CID16809755
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1
InChIInChI=1S/C23H30N4O3/c28-22(23(29)25-18-7-4-5-8-18)24-17-20(21-11-6-16-30-21)27-14-12-26(13-15-27)19-9-2-1-3-10-19/h1-3,6,9-11,16,18,20H,4-5,7-8,12-15,17H2,(H,24,28)(H,25,29)
InChIKeyJXOHVMKHIUMKBM-UHFFFAOYSA-N
XLogP2.32
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.32
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'-cycloheptyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 16809859
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-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7162671
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 7162743
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162621
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 41234650
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]oxamide
CID 7162722
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 7162699
N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 16809791

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide (CID 16809755) is N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide is O=C(NCC(c1ccco1)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is JXOHVMKHIUMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-22(23(29)25-18-7-4-5-8-18)24-17-20(21-11-6-16-30-21)27-14-12-26(13-15-27)19-9-2-1-3-10-19/h1-3,6,9-11,16,18,20H,4-5,7-8,12-15,17H2,(H,24,28)(H,25,29).
What are the key properties of N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 410.52 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 16809755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).