N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide

C23H44N4O2 — CID 20732681

IUPACN-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
SMILESCN1C(C)(C)CC(N(C=O)CN(C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H44N4O2/c1-20(2)11-18(12-21(3,4)24(20)9)26(16-28)15-27(17-29)19-13-22(5,6)25(10)23(7,8)14-19/h16-19H,11-15H2,1-10H3
InChIKeyLKRRLXWXHJFUKK-UHFFFAOYSA-N
MW408.63 g/mol
LogP3.16
Rot. Bonds6

About N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide

N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide (PubChem CID 20732681) has the molecular formula C23H44N4O2 and a molecular weight of 408.63 g/mol. Its IUPAC name is N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
PubChem CID20732681
Molecular FormulaC23H44N4O2
Molecular Weight408.63 g/mol
Exact Mass408.35
IUPAC NameN-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
SMILESCN1C(C)(C)CC(N(C=O)CN(C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C23H44N4O2/c1-20(2)11-18(12-21(3,4)24(20)9)26(16-28)15-27(17-29)19-13-22(5,6)25(10)23(7,8)14-19/h16-19H,11-15H2,1-10H3
InChIKeyLKRRLXWXHJFUKK-UHFFFAOYSA-N
XLogP3.16
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?
The IUPAC name of N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide (CID 20732681) is N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?
The canonical SMILES for N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide is CN1C(C)(C)CC(N(C=O)CN(C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?
The InChIKey is LKRRLXWXHJFUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O2/c1-20(2)11-18(12-21(3,4)24(20)9)26(16-28)15-27(17-29)19-13-22(5,6)25(10)23(7,8)14-19/h16-19H,11-15H2,1-10H3.
What are the key properties of N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?
N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide has a molecular weight of 408.63 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]methyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide is sourced from PubChem (CID 20732681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).