N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide

C21H40N4O4 — CID 23393124

IUPACN,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide
SMILESCC1(C)CC(NC(=O)CC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C21H40N4O4/c1-18(2)10-14(11-19(3,4)24(18)28)22-16(26)9-17(27)23-15-12-20(5,6)25(29)21(7,8)13-15/h14-15,28-29H,9-13H2,1-8H3,(H,22,26)(H,23,27)
InChIKeyLHAWGWNAQPTLQL-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.43
Rot. Bonds4

About N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide

N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide (PubChem CID 23393124) has the molecular formula C21H40N4O4 and a molecular weight of 412.58 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide
PubChem CID23393124
Molecular FormulaC21H40N4O4
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC NameN,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide
SMILESCC1(C)CC(NC(=O)CC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C21H40N4O4/c1-18(2)10-14(11-19(3,4)24(18)28)22-16(26)9-17(27)23-15-12-20(5,6)25(29)21(7,8)13-15/h14-15,28-29H,9-13H2,1-8H3,(H,22,26)(H,23,27)
InChIKeyLHAWGWNAQPTLQL-UHFFFAOYSA-N
XLogP2.43
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide (CID 23393124) is N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide is CC1(C)CC(NC(=O)CC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide?
The InChIKey is LHAWGWNAQPTLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O4/c1-18(2)10-14(11-19(3,4)24(18)28)22-16(26)9-17(27)23-15-12-20(5,6)25(29)21(7,8)13-15/h14-15,28-29H,9-13H2,1-8H3,(H,22,26)(H,23,27).
What are the key properties of N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide?
N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide has a molecular weight of 412.58 g/mol, XLogP of 2.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanediamide is sourced from PubChem (CID 23393124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).