3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one

C24H44N4O2 — CID 56610929

IUPAC3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one
SMILESCN1C(C)(C)CC(/N=C2\C(=O)C(NC3CC(C)(C)N(C)C(C)(C)C3)C2O)CC1(C)C
InChIInChI=1S/C24H44N4O2/c1-21(2)11-15(12-22(3,4)27(21)9)25-17-19(29)18(20(17)30)26-16-13-23(5,6)28(10)24(7,8)14-16/h15-17,19,25,29H,11-14H2,1-10H3/b26-18-
InChIKeySUFKMSZPNLYKGC-ITYLOYPMSA-N
MW420.64 g/mol
LogP2.63
Rot. Bonds3

About 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one

3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one (PubChem CID 56610929) has the molecular formula C24H44N4O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one
PubChem CID56610929
Molecular FormulaC24H44N4O2
Molecular Weight420.64 g/mol
Exact Mass420.35
IUPAC Name3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one
SMILESCN1C(C)(C)CC(/N=C2\C(=O)C(NC3CC(C)(C)N(C)C(C)(C)C3)C2O)CC1(C)C
InChIInChI=1S/C24H44N4O2/c1-21(2)11-15(12-22(3,4)27(21)9)25-17-19(29)18(20(17)30)26-16-13-23(5,6)28(10)24(7,8)14-16/h15-17,19,25,29H,11-14H2,1-10H3/b26-18-
InChIKeySUFKMSZPNLYKGC-ITYLOYPMSA-N
XLogP2.63
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one?
The IUPAC name of 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one (CID 56610929) is 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one.
What is the SMILES notation for 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one?
The canonical SMILES for 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one is CN1C(C)(C)CC(/N=C2\C(=O)C(NC3CC(C)(C)N(C)C(C)(C)C3)C2O)CC1(C)C.
What is the InChIKey of 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one?
The InChIKey is SUFKMSZPNLYKGC-ITYLOYPMSA-N. The full InChI is InChI=1S/C24H44N4O2/c1-21(2)11-15(12-22(3,4)27(21)9)25-17-19(29)18(20(17)30)26-16-13-23(5,6)28(10)24(7,8)14-16/h15-17,19,25,29H,11-14H2,1-10H3/b26-18-.
What are the key properties of 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one?
3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one has a molecular weight of 420.64 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)iminocyclobutan-1-one is sourced from PubChem (CID 56610929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).