1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

C18H21N3O — CID 110853162

IUPAC1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c22-18(9-8-16-5-4-10-19-15-16)21-13-11-20(12-14-21)17-6-2-1-3-7-17/h1-7,10,15H,8-9,11-14H2
InChIKeyUECGSIHWHNAYPJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 110853162) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID110853162
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c22-18(9-8-16-5-4-10-19-15-16)21-13-11-20(12-14-21)17-6-2-1-3-7-17/h1-7,10,15H,8-9,11-14H2
InChIKeyUECGSIHWHNAYPJ-UHFFFAOYSA-N
XLogP2.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 27510115
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70717959
1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648647
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155990905
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 53180973
1-[4-(4-ethoxyphenyl)-6-methyl-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 138552247

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (CID 110853162) is 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is UECGSIHWHNAYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(9-8-16-5-4-10-19-15-16)21-13-11-20(12-14-21)17-6-2-1-3-7-17/h1-7,10,15H,8-9,11-14H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 295.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110853162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).