N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide

C22H24FN3O2 — CID 112502808

IUPACN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H24FN3O2/c23-18-5-1-16(2-6-18)15-21(27)24-19-7-9-20(10-8-19)25-11-13-26(14-12-25)22(28)17-3-4-17/h1-2,5-10,17H,3-4,11-15H2,(H,24,27)
InChIKeyFFNPCQBGSQKQOP-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.07
Rot. Bonds5

About N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 112502808) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID112502808
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H24FN3O2/c23-18-5-1-16(2-6-18)15-21(27)24-19-7-9-20(10-8-19)25-11-13-26(14-12-25)22(28)17-3-4-17/h1-2,5-10,17H,3-4,11-15H2,(H,24,27)
InChIKeyFFNPCQBGSQKQOP-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
3-acetamido-N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]propanamide
CID 110353273
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
CID 110406316
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022112

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 112502808) is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FFNPCQBGSQKQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-5-1-16(2-6-18)15-21(27)24-19-7-9-20(10-8-19)25-11-13-26(14-12-25)22(28)17-3-4-17/h1-2,5-10,17H,3-4,11-15H2,(H,24,27).
What are the key properties of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 112502808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).