1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one

C19H23N3O — CID 82071142

IUPAC1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESNc1cccc(C(=O)CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O/c20-17-6-4-5-16(15-17)19(23)9-10-21-11-13-22(14-12-21)18-7-2-1-3-8-18/h1-8,15H,9-14,20H2
InChIKeyBNLRCJZGNOENNV-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one

1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 82071142) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID82071142
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESNc1cccc(C(=O)CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O/c20-17-6-4-5-16(15-17)19(23)9-10-21-11-13-22(14-12-21)18-7-2-1-3-8-18/h1-8,15H,9-14,20H2
InChIKeyBNLRCJZGNOENNV-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 82071216
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 82071237
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]aniline
CID 115942867
1-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 82071196
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
1-(3-aminophenyl)-3-bromopropan-1-one
CID 67069014

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one (CID 82071142) is 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one is Nc1cccc(C(=O)CCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is BNLRCJZGNOENNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-17-6-4-5-16(15-17)19(23)9-10-21-11-13-22(14-12-21)18-7-2-1-3-8-18/h1-8,15H,9-14,20H2.
What are the key properties of 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one?
1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 309.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 82071142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).