4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide

C21H25FN4O3 — CID 48515379

IUPAC4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25FN4O3/c1-29-19-8-2-16(3-9-19)14-23-20(27)15-24-21(28)26-12-10-25(11-13-26)18-6-4-17(22)5-7-18/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyBKZITGVRVOWLMD-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.98
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 48515379) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
PubChem CID48515379
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H25FN4O3/c1-29-19-8-2-16(3-9-19)14-23-20(27)15-24-21(28)26-12-10-25(11-13-26)18-6-4-17(22)5-7-18/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyBKZITGVRVOWLMD-UHFFFAOYSA-N
XLogP1.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 18285766
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 108998649
4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108225
methyl 4-[[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111242083
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107679
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
(4-fluorophenyl)methyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593037
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53369031
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161039

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide (CID 48515379) is 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is BKZITGVRVOWLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-29-19-8-2-16(3-9-19)14-23-20(27)15-24-21(28)26-12-10-25(11-13-26)18-6-4-17(22)5-7-18/h2-9H,10-15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 48515379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).