(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Cyclo(alanyl-leucyl)
CID 13879946
N-(tert-butyl)decahydroisoquinoline-3-carboxamide
CID 3667935
Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
(3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
CID 454736
(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 155529699
2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
CID 4222340
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659

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).