6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide

C16H32N2O — CID 79488415

IUPAC6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1CCC(C)NC1
InChIInChI=1S/C16H32N2O/c1-6-15(7-2)18(11-12(3)4)16(19)14-9-8-13(5)17-10-14/h12-15,17H,6-11H2,1-5H3
InChIKeyFSBJMBGLQOTWTH-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.05
Rot. Bonds6

About 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide

6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide (PubChem CID 79488415) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide
PubChem CID79488415
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1CCC(C)NC1
InChIInChI=1S/C16H32N2O/c1-6-15(7-2)18(11-12(3)4)16(19)14-9-8-13(5)17-10-14/h12-15,17H,6-11H2,1-5H3
InChIKeyFSBJMBGLQOTWTH-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide (CID 79488415) is 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide is CCC(CC)N(CC(C)C)C(=O)C1CCC(C)NC1.
What is the InChIKey of 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide?
The InChIKey is FSBJMBGLQOTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-15(7-2)18(11-12(3)4)16(19)14-9-8-13(5)17-10-14/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide?
6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 79488415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).