N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide

C23H29FN4O3 — CID 6737810

IUPACN'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H29FN4O3/c1-2-31-21-9-7-20(8-10-21)26-23(30)22(29)25-11-12-27-13-15-28(16-14-27)17-18-3-5-19(24)6-4-18/h3-10H,2,11-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyPCHBXJAKUMXELK-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.10
Rot. Bonds8

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

N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide (PubChem CID 6737810) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
PubChem CID6737810
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H29FN4O3/c1-2-31-21-9-7-20(8-10-21)26-23(30)22(29)25-11-12-27-13-15-28(16-14-27)17-18-3-5-19(24)6-4-18/h3-10H,2,11-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyPCHBXJAKUMXELK-UHFFFAOYSA-N
XLogP2.10
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.10
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'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 2915953
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
CID 42389794
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512624

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide (CID 6737810) is N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide?
The InChIKey is PCHBXJAKUMXELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-2-31-21-9-7-20(8-10-21)26-23(30)22(29)25-11-12-27-13-15-28(16-14-27)17-18-3-5-19(24)6-4-18/h3-10H,2,11-17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide?
N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide has a molecular weight of 428.51 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 6737810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).