N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide

C21H25FN4O2 — CID 109027276

IUPACN-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-16(27)24-19-4-2-3-18(15-19)23-10-9-21(28)26-13-11-25(12-14-26)20-7-5-17(22)6-8-20/h2-8,15,23H,9-14H2,1H3,(H,24,27)
InChIKeyYUTWVWMLJMHOFE-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.93
Rot. Bonds6

About N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide

N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide (PubChem CID 109027276) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
PubChem CID109027276
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H25FN4O2/c1-16(27)24-19-4-2-3-18(15-19)23-10-9-21(28)26-13-11-25(12-14-26)20-7-5-17(22)6-8-20/h2-8,15,23H,9-14H2,1H3,(H,24,27)
InChIKeyYUTWVWMLJMHOFE-UHFFFAOYSA-N
XLogP2.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
CID 109027097
3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027274
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027257
3-(3-fluoroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030474
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide (CID 109027276) is N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide?
The InChIKey is YUTWVWMLJMHOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-16(27)24-19-4-2-3-18(15-19)23-10-9-21(28)26-13-11-25(12-14-26)20-7-5-17(22)6-8-20/h2-8,15,23H,9-14H2,1H3,(H,24,27).
What are the key properties of N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide?
N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide is sourced from PubChem (CID 109027276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).