N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide

C22H34N4O3 — CID 42389613

IUPACN'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-29-20-11-6-5-10-19(20)26-16-14-25(15-17-26)13-7-12-23-21(27)22(28)24-18-8-3-2-4-9-18/h5-6,10-11,18H,2-4,7-9,12-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyQMAUUAMHGQFFLX-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.77
Rot. Bonds7

About N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide

N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide (PubChem CID 42389613) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
PubChem CID42389613
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-29-20-11-6-5-10-19(20)26-16-14-25(15-17-26)13-7-12-23-21(27)22(28)24-18-8-3-2-4-9-18/h5-6,10-11,18H,2-4,7-9,12-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyQMAUUAMHGQFFLX-UHFFFAOYSA-N
XLogP1.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
CID 110624557
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389638
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
[5-(cyclohexylmethyl)-2-pyridinyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate;hydrochloride
CID 70516087
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325
(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
CID 108831570
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide (CID 42389613) is N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide is COc1ccccc1N1CCN(CCCNC(=O)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
The InChIKey is QMAUUAMHGQFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-29-20-11-6-5-10-19(20)26-16-14-25(15-17-26)13-7-12-23-21(27)22(28)24-18-8-3-2-4-9-18/h5-6,10-11,18H,2-4,7-9,12-17H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide?
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide has a molecular weight of 402.54 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide is sourced from PubChem (CID 42389613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).