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

C17H24N2O — CID 132820346

IUPAC(3S,5S)-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-JKSUJKDBSA-N
MW272.39 g/mol
LogP2.27
Rot. Bonds3

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

(3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one (PubChem CID 132820346) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name(3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one
PubChem CID132820346
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3S,5S)-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-JKSUJKDBSA-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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Related Compounds

(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one
CID 132820338
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CID 174267947
3-benzyl-1,4-diazepan-2-one
CID 78068532
(3R)-3-benzylpiperazine-2,5-dione
CID 928691
3-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 85436082
trans-(6S,21S)-3,6,18,21-tetrabenzyl-1,4,7,16,19,22-hexazacyclotriacontane-2,5,8,17,20,23-hexone
CID 177459513
(4S,12S)-4,12-dibenzyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione
CID 11547343
(3S)-3-benzyl-1,3,4,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]diazepine-2,5-dione
CID 101377555
(2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol
CID 102259871
(3R,5R)-3-[(3-fluorophenyl)methyl]-5-phenylpiperazin-2-one
CID 135364827
trans-(12S,17S)-12,17-dibenzyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,14,15,18-tetrone
CID 101211209
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one?
The IUPAC name of (3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one (CID 132820346) is (3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one.
What is the SMILES notation for (3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one?
The canonical SMILES for (3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one is O=C1NC[C@H](C2CCCCC2)N[C@H]1Cc1ccccc1.
What is the InChIKey of (3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one?
The InChIKey is DZQQTLCWUYSJQF-JKSUJKDBSA-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,5S)-3-benzyl-5-cyclohexylpiperazin-2-one?
(3S,5S)-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,5S)-3-benzyl-5-cyclohexylpiperazin-2-one is sourced from PubChem (CID 132820346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).