(6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

C12H16N2O3 — CID 53306722

IUPAC(6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C12H16N2O3/c1-8(2)11-12(16)13-6-10(15)14(11)7-9-4-3-5-17-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,16)/t11-/m0/s1
InChIKeyCESVUJYOKVEVSF-NSHDSACASA-N
MW236.27 g/mol
LogP0.76
Rot. Bonds3

About (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

(6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 53306722) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID53306722
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)[C@H]1C(=O)NCC(=O)N1Cc1ccco1
InChIInChI=1S/C12H16N2O3/c1-8(2)11-12(16)13-6-10(15)14(11)7-9-4-3-5-17-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,16)/t11-/m0/s1
InChIKeyCESVUJYOKVEVSF-NSHDSACASA-N
XLogP0.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (CID 53306722) is (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)[C@H]1C(=O)NCC(=O)N1Cc1ccco1.
What is the InChIKey of (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CESVUJYOKVEVSF-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)11-12(16)13-6-10(15)14(11)7-9-4-3-5-17-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,16)/t11-/m0/s1.
What are the key properties of (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
(6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(furan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 53306722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).