(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one

C8H14N2O — CID 122522401

IUPAC(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one
SMILESC=C1NCC(=O)N[C@H]1C(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)8-6(3)9-4-7(11)10-8/h5,8-9H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeySUHICMMYEUMAPO-QMMMGPOBSA-N
MW154.21 g/mol
LogP0.24
Rot. Bonds1

About (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one

(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one (PubChem CID 122522401) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one
PubChem CID122522401
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one
SMILESC=C1NCC(=O)N[C@H]1C(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)8-6(3)9-4-7(11)10-8/h5,8-9H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeySUHICMMYEUMAPO-QMMMGPOBSA-N
XLogP0.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one?
The IUPAC name of (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one (CID 122522401) is (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one?
The canonical SMILES for (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one is C=C1NCC(=O)N[C@H]1C(C)C.
What is the InChIKey of (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one?
The InChIKey is SUHICMMYEUMAPO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)8-6(3)9-4-7(11)10-8/h5,8-9H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one?
(6S)-5-methylidene-6-propan-2-ylpiperazin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-methylidene-6-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 122522401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).