N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C21H25FN4O2 — CID 134038214

IUPACN-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-15(21(28)24-19-5-3-4-18(14-19)23-16(2)27)25-10-12-26(13-11-25)20-8-6-17(22)7-9-20/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBPAVQILLQIIWAN-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.93
Rot. Bonds5

About N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 134038214) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID134038214
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-15(21(28)24-19-5-3-4-18(14-19)23-16(2)27)25-10-12-26(13-11-25)20-8-6-17(22)7-9-20/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBPAVQILLQIIWAN-UHFFFAOYSA-N
XLogP2.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 86968144
(2R)-N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461838
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41071347
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3603157
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9431483
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 134038214) is N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(=O)Nc1cccc(NC(=O)C(C)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is BPAVQILLQIIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-15(21(28)24-19-5-3-4-18(14-19)23-16(2)27)25-10-12-26(13-11-25)20-8-6-17(22)7-9-20/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 384.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 134038214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).