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

C20H30N4O2 — CID 42268287

IUPACN'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(20(26)22-17-7-3-1-4-8-17)21-11-12-23-13-15-24(16-14-23)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,25)(H,22,26)
InChIKeyGRUGYERECSLDHA-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.37
Rot. Bonds5

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

N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (PubChem CID 42268287) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
PubChem CID42268287
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(20(26)22-17-7-3-1-4-8-17)21-11-12-23-13-15-24(16-14-23)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,25)(H,22,26)
InChIKeyGRUGYERECSLDHA-UHFFFAOYSA-N
XLogP1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N'-cyclohexyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557907
N-cyclohexyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
CID 134118089
N'-cyclopentyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16892936
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059033
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (CID 42268287) is N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is GRUGYERECSLDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(20(26)22-17-7-3-1-4-8-17)21-11-12-23-13-15-24(16-14-23)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,25)(H,22,26).
What are the key properties of N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 358.49 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 42268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).