N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide

C40H76N6O2 — CID 54115273

IUPACN,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide
SMILESCC1(C)CC(N(C(=O)CCC(=O)N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C40H76N6O2/c1-33(2)19-27(20-34(3,4)41-33)45(28-21-35(5,6)42-36(7,8)22-28)31(47)17-18-32(48)46(29-23-37(9,10)43-38(11,12)24-29)30-25-39(13,14)44-40(15,16)26-30/h27-30,41-44H,17-26H2,1-16H3
InChIKeyNJXJTNNDUAAHFH-UHFFFAOYSA-N
MW673.09 g/mol
LogP6.66
Rot. Bonds7

About N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide

N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide (PubChem CID 54115273) has the molecular formula C40H76N6O2 and a molecular weight of 673.09 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide
PubChem CID54115273
Molecular FormulaC40H76N6O2
Molecular Weight673.09 g/mol
Exact Mass672.60
IUPAC NameN,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide
SMILESCC1(C)CC(N(C(=O)CCC(=O)N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C40H76N6O2/c1-33(2)19-27(20-34(3,4)41-33)45(28-21-35(5,6)42-36(7,8)22-28)31(47)17-18-32(48)46(29-23-37(9,10)43-38(11,12)24-29)30-25-39(13,14)44-40(15,16)26-30/h27-30,41-44H,17-26H2,1-16H3
InChIKeyNJXJTNNDUAAHFH-UHFFFAOYSA-N
XLogP6.66
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.09
LogP ≤ 56.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide?
The IUPAC name of N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide (CID 54115273) is N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide is CC1(C)CC(N(C(=O)CCC(=O)N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide?
The InChIKey is NJXJTNNDUAAHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H76N6O2/c1-33(2)19-27(20-34(3,4)41-33)45(28-21-35(5,6)42-36(7,8)22-28)31(47)17-18-32(48)46(29-23-37(9,10)43-38(11,12)24-29)30-25-39(13,14)44-40(15,16)26-30/h27-30,41-44H,17-26H2,1-16H3.
What are the key properties of N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide?
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide has a molecular weight of 673.09 g/mol, XLogP of 6.66, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)butanediamide is sourced from PubChem (CID 54115273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).