(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one

C26H28N2O — CID 10691445

IUPAC(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
SMILESO=C1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C26H28N2O/c29-26-17-16-25(21-28(26)20-24-14-8-3-9-15-24)27(18-22-10-4-1-5-11-22)19-23-12-6-2-7-13-23/h1-15,25H,16-21H2/t25-/m0/s1
InChIKeyLLJMAEBLZSRIPO-VWLOTQADSA-N
MW384.52 g/mol
LogP4.88
Rot. Bonds7

About (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one

(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one (PubChem CID 10691445) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
PubChem CID10691445
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
SMILESO=C1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C26H28N2O/c29-26-17-16-25(21-28(26)20-24-14-8-3-9-15-24)27(18-22-10-4-1-5-11-22)19-23-12-6-2-7-13-23/h1-15,25H,16-21H2/t25-/m0/s1
InChIKeyLLJMAEBLZSRIPO-VWLOTQADSA-N
XLogP4.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one
CID 24776493
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
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(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
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Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one (CID 10691445) is (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one is O=C1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one?
The InChIKey is LLJMAEBLZSRIPO-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28N2O/c29-26-17-16-25(21-28(26)20-24-14-8-3-9-15-24)27(18-22-10-4-1-5-11-22)19-23-12-6-2-7-13-23/h1-15,25H,16-21H2/t25-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one?
(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one has a molecular weight of 384.52 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one is sourced from PubChem (CID 10691445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).