N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide

C23H30N4O2 — CID 43071347

IUPACN-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-22(12-14-25-23(29)20-8-3-1-4-9-20)24-13-7-15-26-16-18-27(19-17-26)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,24,28)(H,25,29)
InChIKeyNZZDFGGSWSPAMY-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.13
Rot. Bonds9

About N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide

N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide (PubChem CID 43071347) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
PubChem CID43071347
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-22(12-14-25-23(29)20-8-3-1-4-9-20)24-13-7-15-26-16-18-27(19-17-26)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,24,28)(H,25,29)
InChIKeyNZZDFGGSWSPAMY-UHFFFAOYSA-N
XLogP2.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
CID 86878613
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide (CID 43071347) is N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
The InChIKey is NZZDFGGSWSPAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22(12-14-25-23(29)20-8-3-1-4-9-20)24-13-7-15-26-16-18-27(19-17-26)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,24,28)(H,25,29).
What are the key properties of N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide is sourced from PubChem (CID 43071347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).