N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide

C20H29FN4O2 — CID 18578280

IUPACN'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NC2CCCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN4O2/c1-24-10-12-25(13-11-24)18(15-6-8-16(21)9-7-15)14-22-19(26)20(27)23-17-4-2-3-5-17/h6-9,17-18H,2-5,10-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyYQPNTFAIRQYCJI-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.29
Rot. Bonds5

About N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide

N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide (PubChem CID 18578280) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
PubChem CID18578280
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC NameN'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NC2CCCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN4O2/c1-24-10-12-25(13-11-24)18(15-6-8-16(21)9-7-15)14-22-19(26)20(27)23-17-4-2-3-5-17/h6-9,17-18H,2-5,10-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyYQPNTFAIRQYCJI-UHFFFAOYSA-N
XLogP1.29
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide (CID 18578280) is N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide is CN1CCN(C(CNC(=O)C(=O)NC2CCCC2)c2ccc(F)cc2)CC1.
What is the InChIKey of N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is YQPNTFAIRQYCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-24-10-12-25(13-11-24)18(15-6-8-16(21)9-7-15)14-22-19(26)20(27)23-17-4-2-3-5-17/h6-9,17-18H,2-5,10-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 376.48 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 18578280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).