3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one

C27H30N2O — CID 68669114

IUPAC3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1Cc1ccccc1)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C27H30N2O/c30-27(29-18-17-28-21-26(29)20-23-11-5-2-6-12-23)16-15-24-13-7-8-14-25(24)19-22-9-3-1-4-10-22/h1-14,26,28H,15-21H2
InChIKeyZPYKCHLSGXFWLC-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.25
Rot. Bonds7

About 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one

3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one (PubChem CID 68669114) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
PubChem CID68669114
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1Cc1ccccc1)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C27H30N2O/c30-27(29-18-17-28-21-26(29)20-23-11-5-2-6-12-23)16-15-24-13-7-8-14-25(24)19-22-9-3-1-4-10-22/h1-14,26,28H,15-21H2
InChIKeyZPYKCHLSGXFWLC-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one
CID 16752759
N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide
CID 24986119
N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide
CID 68669494
N-[1-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-2-phenylethyl]acetamide
CID 68669015
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
1-(2-benzylpiperazin-1-yl)-2-(2-phenoxyphenyl)ethanone
CID 68668878
N-[2-[2-[[2-[3-oxo-3-[2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperazin-1-yl]propyl]phenyl]methyl]phenyl]ethyl]acetamide
CID 68669304
N-[2-[2-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]ethyl]acetamide
CID 68669130
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
N-[[2-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]-5-methylphenoxy]-5-methylphenyl]methyl]acetamide
CID 68669026
N-[[2-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 68669827
1-(2-benzyl-1,4-diazepan-1-yl)pentan-1-one
CID 82248077

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one (CID 68669114) is 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one is O=C(CCc1ccccc1Cc1ccccc1)N1CCNCC1Cc1ccccc1.
What is the InChIKey of 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one?
The InChIKey is ZPYKCHLSGXFWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c30-27(29-18-17-28-21-26(29)20-23-11-5-2-6-12-23)16-15-24-13-7-8-14-25(24)19-22-9-3-1-4-10-22/h1-14,26,28H,15-21H2.
What are the key properties of 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one?
3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one has a molecular weight of 398.55 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 68669114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).