(3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione

C14H24N2O2 — CID 11807161

IUPAC(3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,17)/t11-,12-/m0/s1
InChIKeySZFIMIRDBXRLOH-RYUDHWBXSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds3

About (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione

(3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 11807161) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID11807161
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,17)/t11-,12-/m0/s1
InChIKeySZFIMIRDBXRLOH-RYUDHWBXSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione (CID 11807161) is (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC1=O.
What is the InChIKey of (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is SZFIMIRDBXRLOH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,17)/t11-,12-/m0/s1.
What are the key properties of (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
(3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-(cyclohexylmethyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 11807161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).