(3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione

C24H48N4O2 — CID 164668828

IUPAC(3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione
SMILESCCCN(CCC)CCCC[C@@H]1NC(=O)[C@H](CCCCN(CCC)CCC)NC1=O
InChIInChI=1S/C24H48N4O2/c1-5-15-27(16-6-2)19-11-9-13-21-23(29)26-22(24(30)25-21)14-10-12-20-28(17-7-3)18-8-4/h21-22H,5-20H2,1-4H3,(H,25,30)(H,26,29)/t21-,22-/m0/s1
InChIKeyVUSYGOHWPYYLLV-VXKWHMMOSA-N
MW424.67 g/mol
LogP3.55
Rot. Bonds18

About (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione

(3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione (PubChem CID 164668828) has the molecular formula C24H48N4O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione
PubChem CID164668828
Molecular FormulaC24H48N4O2
Molecular Weight424.67 g/mol
Exact Mass424.38
IUPAC Name(3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione
SMILESCCCN(CCC)CCCC[C@@H]1NC(=O)[C@H](CCCCN(CCC)CCC)NC1=O
InChIInChI=1S/C24H48N4O2/c1-5-15-27(16-6-2)19-11-9-13-21-23(29)26-22(24(30)25-21)14-10-12-20-28(17-7-3)18-8-4/h21-22H,5-20H2,1-4H3,(H,25,30)(H,26,29)/t21-,22-/m0/s1
InChIKeyVUSYGOHWPYYLLV-VXKWHMMOSA-N
XLogP3.55
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione (CID 164668828) is (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione is CCCN(CCC)CCCC[C@@H]1NC(=O)[C@H](CCCCN(CCC)CCC)NC1=O.
What is the InChIKey of (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione?
The InChIKey is VUSYGOHWPYYLLV-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H48N4O2/c1-5-15-27(16-6-2)19-11-9-13-21-23(29)26-22(24(30)25-21)14-10-12-20-28(17-7-3)18-8-4/h21-22H,5-20H2,1-4H3,(H,25,30)(H,26,29)/t21-,22-/m0/s1.
What are the key properties of (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione?
(3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione has a molecular weight of 424.67 g/mol, XLogP of 3.55, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-bis[4-(dipropylamino)butyl]piperazine-2,5-dione is sourced from PubChem (CID 164668828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).