N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide

C22H40N4O4-2 — CID 3275383

IUPACN,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide
SMILESCC1(C)CC(NC(=O)CCC(=O)NC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C22H40N4O4/c1-19(2)11-15(12-20(3,4)25(19)29)23-17(27)9-10-18(28)24-16-13-21(5,6)26(30)22(7,8)14-16/h15-16H,9-14H2,1-8H3,(H,23,27)(H,24,28)/q-2
InChIKeyVDCMCHGWIXSLAN-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.04
Rot. Bonds5

About N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide

N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide (PubChem CID 3275383) has the molecular formula C22H40N4O4-2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide
PubChem CID3275383
Molecular FormulaC22H40N4O4-2
Molecular Weight424.59 g/mol
Exact Mass424.31
IUPAC NameN,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide
SMILESCC1(C)CC(NC(=O)CCC(=O)NC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C22H40N4O4/c1-19(2)11-15(12-20(3,4)25(19)29)23-17(27)9-10-18(28)24-16-13-21(5,6)26(30)22(7,8)14-16/h15-16H,9-14H2,1-8H3,(H,23,27)(H,24,28)/q-2
InChIKeyVDCMCHGWIXSLAN-UHFFFAOYSA-N
XLogP3.04
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide (CID 3275383) is N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide is CC1(C)CC(NC(=O)CCC(=O)NC2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide?
The InChIKey is VDCMCHGWIXSLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O4/c1-19(2)11-15(12-20(3,4)25(19)29)23-17(27)9-10-18(28)24-16-13-21(5,6)26(30)22(7,8)14-16/h15-16H,9-14H2,1-8H3,(H,23,27)(H,24,28)/q-2.
What are the key properties of N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide?
N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide has a molecular weight of 424.59 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)butanediamide is sourced from PubChem (CID 3275383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).