N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide

C14H27N3O2 — CID 87582665

IUPACN-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide
SMILESCC1(C)CC(N(C=O)CCCNC=O)CC(C)(C)N1
InChIInChI=1S/C14H27N3O2/c1-13(2)8-12(9-14(3,4)16-13)17(11-19)7-5-6-15-10-18/h10-12,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyUPMMTESSCHHVTR-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds7

About N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide

N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide (PubChem CID 87582665) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide
PubChem CID87582665
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide
SMILESCC1(C)CC(N(C=O)CCCNC=O)CC(C)(C)N1
InChIInChI=1S/C14H27N3O2/c1-13(2)8-12(9-14(3,4)16-13)17(11-19)7-5-6-15-10-18/h10-12,16H,5-9H2,1-4H3,(H,15,18)
InChIKeyUPMMTESSCHHVTR-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide?
The IUPAC name of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide (CID 87582665) is N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide.
What is the SMILES notation for N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide?
The canonical SMILES for N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide is CC1(C)CC(N(C=O)CCCNC=O)CC(C)(C)N1.
What is the InChIKey of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide?
The InChIKey is UPMMTESSCHHVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2)8-12(9-14(3,4)16-13)17(11-19)7-5-6-15-10-18/h10-12,16H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide?
N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[formyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]formamide is sourced from PubChem (CID 87582665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).