(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

C21H23N3O2 — CID 92709038

IUPAC(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccco1)n1cccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(17-19(20-9-6-16-26-20)23-10-4-5-11-23)24-14-12-22(13-15-24)18-7-2-1-3-8-18/h1-11,16,19H,12-15,17H2/t19-/m1/s1
InChIKeyAMVMJUDAHNYTEW-LJQANCHMSA-N
MW349.43 g/mol
LogP3.41
Rot. Bonds5

About (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 92709038) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID92709038
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccco1)n1cccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-21(17-19(20-9-6-16-26-20)23-10-4-5-11-23)24-14-12-22(13-15-24)18-7-2-1-3-8-18/h1-11,16,19H,12-15,17H2/t19-/m1/s1
InChIKeyAMVMJUDAHNYTEW-LJQANCHMSA-N
XLogP3.41
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one with MolForge

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Related Compounds

(3R)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709117
(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709861
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
CID 46343081
N-ethyl-N'-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162711
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342737
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 7162621
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-pyrrol-1-yl-3-thiophen-2-ylpropan-1-one
CID 46342504
N-(furan-2-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113161012

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 92709038) is (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is O=C(C[C@H](c1ccco1)n1cccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is AMVMJUDAHNYTEW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(17-19(20-9-6-16-26-20)23-10-4-5-11-23)24-14-12-22(13-15-24)18-7-2-1-3-8-18/h1-11,16,19H,12-15,17H2/t19-/m1/s1.
What are the key properties of (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 92709038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).