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

C21H24FN5O3 — CID 56762711

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O3/c1-15(28)24-17-4-6-18(7-5-17)25-20(29)14-23-21(30)27-12-10-26(11-13-27)19-8-2-16(22)3-9-19/h2-9H,10-14H2,1H3,(H,23,30)(H,24,28)(H,25,29)
InChIKeyBSMLUFIXBDXIST-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.25
Rot. Bonds5

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

N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 56762711) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID56762711
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O3/c1-15(28)24-17-4-6-18(7-5-17)25-20(29)14-23-21(30)27-12-10-26(11-13-27)19-8-2-16(22)3-9-19/h2-9H,10-14H2,1H3,(H,23,30)(H,24,28)(H,25,29)
InChIKeyBSMLUFIXBDXIST-UHFFFAOYSA-N
XLogP2.25
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
2-[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-phenylacetamide
CID 111165421
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53369031
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
CID 110406316
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 56762711) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is BSMLUFIXBDXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-15(28)24-17-4-6-18(7-5-17)25-20(29)14-23-21(30)27-12-10-26(11-13-27)19-8-2-16(22)3-9-19/h2-9H,10-14H2,1H3,(H,23,30)(H,24,28)(H,25,29).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56762711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).