N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide

C16H32N2O — CID 118430708

IUPACN-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide
SMILESCCCCCN(C=O)C1CC(C)(C)N(C)C(C)C1C
InChIInChI=1S/C16H32N2O/c1-7-8-9-10-18(12-19)15-11-16(4,5)17(6)14(3)13(15)2/h12-15H,7-11H2,1-6H3
InChIKeyQREFVANDDIIWAM-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.14
Rot. Bonds6

About N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide

N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide (PubChem CID 118430708) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide.

Molecular Properties

Compound NameN-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide
PubChem CID118430708
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide
SMILESCCCCCN(C=O)C1CC(C)(C)N(C)C(C)C1C
InChIInChI=1S/C16H32N2O/c1-7-8-9-10-18(12-19)15-11-16(4,5)17(6)14(3)13(15)2/h12-15H,7-11H2,1-6H3
InChIKeyQREFVANDDIIWAM-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide?
The IUPAC name of N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide (CID 118430708) is N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide.
What is the SMILES notation for N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide?
The canonical SMILES for N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide is CCCCCN(C=O)C1CC(C)(C)N(C)C(C)C1C.
What is the InChIKey of N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide?
The InChIKey is QREFVANDDIIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-8-9-10-18(12-19)15-11-16(4,5)17(6)14(3)13(15)2/h12-15H,7-11H2,1-6H3.
What are the key properties of N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide?
N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide has a molecular weight of 268.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide is sourced from PubChem (CID 118430708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).