[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone

C25H26N2O — CID 102468577

IUPAC[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C[C@H](Cc2ccccc2)N[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O/c28-25(22-14-8-3-9-15-22)27-18-23(16-20-10-4-1-5-11-20)26-24(19-27)17-21-12-6-2-7-13-21/h1-15,23-24,26H,16-19H2/t23-,24-/m0/s1
InChIKeyJEONGOAHZLDZQX-ZEQRLZLVSA-N
MW370.50 g/mol
LogP3.95
Rot. Bonds5

About [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone

[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone (PubChem CID 102468577) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone
PubChem CID102468577
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1C[C@H](Cc2ccccc2)N[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C25H26N2O/c28-25(22-14-8-3-9-15-22)27-18-23(16-20-10-4-1-5-11-20)26-24(19-27)17-21-12-6-2-7-13-21/h1-15,23-24,26H,16-19H2/t23-,24-/m0/s1
InChIKeyJEONGOAHZLDZQX-ZEQRLZLVSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3,5-dibenzylpiperazine-1-carboxylate
CID 156757897
2-[(2S,6S)-4-benzoyl-6-methylpiperazin-2-yl]acetic acid
CID 176721285
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one
CID 11738375
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(1-benzoylazetidin-3-yl)methanesulfonic acid
CID 150251295
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone (CID 102468577) is [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1C[C@H](Cc2ccccc2)N[C@@H](Cc2ccccc2)C1.
What is the InChIKey of [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone?
The InChIKey is JEONGOAHZLDZQX-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H26N2O/c28-25(22-14-8-3-9-15-22)27-18-23(16-20-10-4-1-5-11-20)26-24(19-27)17-21-12-6-2-7-13-21/h1-15,23-24,26H,16-19H2/t23-,24-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone?
[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone has a molecular weight of 370.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 102468577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).