(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione

C14H24N4O2 — CID 102319648

IUPAC(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
SMILESO=C1N[C@@H]([C@H]2CCCCN2)C(=O)N[C@H]1[C@H]1CCCCN1
InChIInChI=1S/C14H24N4O2/c19-13-11(9-5-1-3-7-15-9)17-14(20)12(18-13)10-6-2-4-8-16-10/h9-12,15-16H,1-8H2,(H,17,20)(H,18,19)/t9-,10-,11+,12+/m1/s1
InChIKeyBYRFZQHJSFCZIV-WYUUTHIRSA-N
MW280.37 g/mol
LogP-0.75
Rot. Bonds2

About (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione

(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione (PubChem CID 102319648) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
PubChem CID102319648
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
SMILESO=C1N[C@@H]([C@H]2CCCCN2)C(=O)N[C@H]1[C@H]1CCCCN1
InChIInChI=1S/C14H24N4O2/c19-13-11(9-5-1-3-7-15-9)17-14(20)12(18-13)10-6-2-4-8-16-10/h9-12,15-16H,1-8H2,(H,17,20)(H,18,19)/t9-,10-,11+,12+/m1/s1
InChIKeyBYRFZQHJSFCZIV-WYUUTHIRSA-N
XLogP-0.75
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-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

(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
CID 66907470
2-pyrrolidin-2-ylpiperidine
CID 14810994
4-piperidin-2-ylcyclohexan-1-one
CID 83262290
2-(azepan-2-yl)cycloheptane-1,3-dione
CID 107430820
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 126837540
5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione
CID 130595743
2-cyclodecylazecane
CID 126739440
(2S)-2-cyclohexylpiperidine
CID 7016471
(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
CID 178194652
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
9-(azocan-2-yl)spiro[4.5]decan-8-one
CID 114239639

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione (CID 102319648) is (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione is O=C1N[C@@H]([C@H]2CCCCN2)C(=O)N[C@H]1[C@H]1CCCCN1.
What is the InChIKey of (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione?
The InChIKey is BYRFZQHJSFCZIV-WYUUTHIRSA-N. The full InChI is InChI=1S/C14H24N4O2/c19-13-11(9-5-1-3-7-15-9)17-14(20)12(18-13)10-6-2-4-8-16-10/h9-12,15-16H,1-8H2,(H,17,20)(H,18,19)/t9-,10-,11+,12+/m1/s1.
What are the key properties of (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione?
(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of -0.75, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione is sourced from PubChem (CID 102319648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).