(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one

C17H24N2O — CID 132820338

IUPAC(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one
SMILESO=C1NC[C@@H](C2CCCCC2)N[C@H]1Cc1ccccc1
InChIInChI=1S/C17H24N2O/c20-17-15(11-13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1,3-4,7-8,14-16,19H,2,5-6,9-12H2,(H,18,20)/t15-,16-/m0/s1
InChIKeyDZQQTLCWUYSJQF-HOTGVXAUSA-N
MW272.39 g/mol
LogP2.27
Rot. Bonds3

About (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one

(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one (PubChem CID 132820338) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one
PubChem CID132820338
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one
SMILESO=C1NC[C@@H](C2CCCCC2)N[C@H]1Cc1ccccc1
InChIInChI=1S/C17H24N2O/c20-17-15(11-13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1,3-4,7-8,14-16,19H,2,5-6,9-12H2,(H,18,20)/t15-,16-/m0/s1
InChIKeyDZQQTLCWUYSJQF-HOTGVXAUSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one?
The IUPAC name of (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one (CID 132820338) is (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one.
What is the SMILES notation for (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one?
The canonical SMILES for (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one is O=C1NC[C@@H](C2CCCCC2)N[C@H]1Cc1ccccc1.
What is the InChIKey of (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one?
The InChIKey is DZQQTLCWUYSJQF-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17-15(11-13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1,3-4,7-8,14-16,19H,2,5-6,9-12H2,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one?
(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one is sourced from PubChem (CID 132820338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).