N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide

C13H26N2O2 — CID 16895566

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide
SMILESCOCCN1CCC(CNC(=O)C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)13(16)14-10-12-4-6-15(7-5-12)8-9-17-3/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyYHPHNZNBTWFERI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide (PubChem CID 16895566) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide
PubChem CID16895566
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide
SMILESCOCCN1CCC(CNC(=O)C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)13(16)14-10-12-4-6-15(7-5-12)8-9-17-3/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyYHPHNZNBTWFERI-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide (CID 16895566) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide is COCCN1CCC(CNC(=O)C(C)C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide?
The InChIKey is YHPHNZNBTWFERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)13(16)14-10-12-4-6-15(7-5-12)8-9-17-3/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 16895566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).