1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one

C26H28N2O2 — CID 16752759

IUPAC1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1Oc1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H28N2O2/c29-26(28-18-17-27-20-23(28)19-21-9-3-1-4-10-21)16-15-22-11-7-8-14-25(22)30-24-12-5-2-6-13-24/h1-14,23,27H,15-20H2/t23-/m1/s1
InChIKeyQQGAQPPBRQQTFW-HSZRJFAPSA-N
MW400.52 g/mol
LogP4.45
Rot. Bonds7

About 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one

1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one (PubChem CID 16752759) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one
PubChem CID16752759
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one
SMILESO=C(CCc1ccccc1Oc1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H28N2O2/c29-26(28-18-17-27-20-23(28)19-21-9-3-1-4-10-21)16-15-22-11-7-8-14-25(22)30-24-12-5-2-6-13-24/h1-14,23,27H,15-20H2/t23-/m1/s1
InChIKeyQQGAQPPBRQQTFW-HSZRJFAPSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzylpiperazin-1-yl)-2-(2-phenoxyphenyl)ethanone
CID 68668878
3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
CID 68669114
N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide
CID 24986119
N-[2-[2-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]ethyl]acetamide
CID 68669130
N-[1-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-2-phenylethyl]acetamide
CID 68669015
N-[[2-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 68669827
N-[[2-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]-5-methylphenoxy]-5-methylphenyl]methyl]acetamide
CID 68669026
(2-benzylpiperazin-1-yl)-[1-(2-phenoxyphenyl)pyrrol-2-yl]methanone
CID 68986894
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
[4-[[(2R)-1-[3-[2-[2-(2-acetamidoethyl)phenoxy]phenyl]propanoyl]piperazin-2-yl]methyl]phenyl] morpholine-4-carboxylate
CID 59447924
N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide
CID 68669494
1-(2-benzyl-1,4-diazepan-1-yl)pentan-1-one
CID 82248077

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one?
The IUPAC name of 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one (CID 16752759) is 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one is O=C(CCc1ccccc1Oc1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one?
The InChIKey is QQGAQPPBRQQTFW-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-26(28-18-17-27-20-23(28)19-21-9-3-1-4-10-21)16-15-22-11-7-8-14-25(22)30-24-12-5-2-6-13-24/h1-14,23,27H,15-20H2/t23-/m1/s1.
What are the key properties of 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one?
1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one has a molecular weight of 400.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one is sourced from PubChem (CID 16752759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).