N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide

C13H26N2O2 — CID 167004447

IUPACN-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-7-5-12(6-8-15)13(16)14-11(3)9-17-4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyJGVARYQWJQXRJN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide

N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 167004447) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID167004447
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-7-5-12(6-8-15)13(16)14-11(3)9-17-4/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyJGVARYQWJQXRJN-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide (CID 167004447) is N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JGVARYQWJQXRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15-7-5-12(6-8-15)13(16)14-11(3)9-17-4/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide?
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 167004447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).