N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide

C23H46N4O — CID 22966879

IUPACN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide
SMILESCN1C(C)(C)CC(NCCC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H46N4O/c1-20(2)13-17(14-21(3,4)26(20)9)24-12-11-19(28)25-18-15-22(5,6)27(10)23(7,8)16-18/h17-18,24H,11-16H2,1-10H3,(H,25,28)
InChIKeyHLZNQYCNXIPLMR-UHFFFAOYSA-N
MW394.65 g/mol
LogP3.39
Rot. Bonds5

About N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide (PubChem CID 22966879) has the molecular formula C23H46N4O and a molecular weight of 394.65 g/mol. Its IUPAC name is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide
PubChem CID22966879
Molecular FormulaC23H46N4O
Molecular Weight394.65 g/mol
Exact Mass394.37
IUPAC NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide
SMILESCN1C(C)(C)CC(NCCC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H46N4O/c1-20(2)13-17(14-21(3,4)26(20)9)24-12-11-19(28)25-18-15-22(5,6)27(10)23(7,8)16-18/h17-18,24H,11-16H2,1-10H3,(H,25,28)
InChIKeyHLZNQYCNXIPLMR-UHFFFAOYSA-N
XLogP3.39
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide (CID 22966879) is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide is CN1C(C)(C)CC(NCCC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide?
The InChIKey is HLZNQYCNXIPLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O/c1-20(2)13-17(14-21(3,4)26(20)9)24-12-11-19(28)25-18-15-22(5,6)27(10)23(7,8)16-18/h17-18,24H,11-16H2,1-10H3,(H,25,28).
What are the key properties of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide?
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide has a molecular weight of 394.65 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 22966879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).