N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide

C21H26N4O2 — CID 109027097

IUPACN-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-17(26)23-19-7-5-6-18(16-19)22-11-10-21(27)25-14-12-24(13-15-25)20-8-3-2-4-9-20/h2-9,16,22H,10-15H2,1H3,(H,23,26)
InChIKeyYVNMGSFCKYMNDE-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.80
Rot. Bonds6

About N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide

N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide (PubChem CID 109027097) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
PubChem CID109027097
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-17(26)23-19-7-5-6-18(16-19)22-11-10-21(27)25-14-12-24(13-15-25)20-8-3-2-4-9-20/h2-9,16,22H,10-15H2,1H3,(H,23,26)
InChIKeyYVNMGSFCKYMNDE-UHFFFAOYSA-N
XLogP2.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]phenyl]acetamide
CID 109027276
3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027274
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
3-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029310
3-[[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
CID 109029354
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide (CID 109027097) is N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(NCCC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide?
The InChIKey is YVNMGSFCKYMNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(26)23-19-7-5-6-18(16-19)22-11-10-21(27)25-14-12-24(13-15-25)20-8-3-2-4-9-20/h2-9,16,22H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide?
N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide is sourced from PubChem (CID 109027097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).