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

C39H74N6O2 — CID 21318529

IUPACN,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide
SMILESCC1(C)CC(N(C(=O)CC(=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/C39H74N6O2/c1-32(2)18-26(19-33(3,4)40-32)44(27-20-34(5,6)41-35(7,8)21-27)30(46)17-31(47)45(28-22-36(9,10)42-37(11,12)23-28)29-24-38(13,14)43-39(15,16)25-29/h26-29,40-43H,17-25H2,1-16H3
InChIKeyLRCLNMWQKHPVPW-UHFFFAOYSA-N
MW659.06 g/mol
LogP6.27
Rot. Bonds6

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

N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide (PubChem CID 21318529) has the molecular formula C39H74N6O2 and a molecular weight of 659.06 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide
PubChem CID21318529
Molecular FormulaC39H74N6O2
Molecular Weight659.06 g/mol
Exact Mass658.59
IUPAC NameN,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide
SMILESCC1(C)CC(N(C(=O)CC(=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/C39H74N6O2/c1-32(2)18-26(19-33(3,4)40-32)44(27-20-34(5,6)41-35(7,8)21-27)30(46)17-31(47)45(28-22-36(9,10)42-37(11,12)23-28)29-24-38(13,14)43-39(15,16)25-29/h26-29,40-43H,17-25H2,1-16H3
InChIKeyLRCLNMWQKHPVPW-UHFFFAOYSA-N
XLogP6.27
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.06
LogP ≤ 56.27
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,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide?
The IUPAC name of N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide (CID 21318529) is N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide is CC1(C)CC(N(C(=O)CC(=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)propanediamide?
The InChIKey is LRCLNMWQKHPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74N6O2/c1-32(2)18-26(19-33(3,4)40-32)44(27-20-34(5,6)41-35(7,8)21-27)30(46)17-31(47)45(28-22-36(9,10)42-37(11,12)23-28)29-24-38(13,14)43-39(15,16)25-29/h26-29,40-43H,17-25H2,1-16H3.
What are the key properties of N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide?
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)propanediamide has a molecular weight of 659.06 g/mol, XLogP of 6.27, 6 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)propanediamide is sourced from PubChem (CID 21318529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).