N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide

C22H40N2O4 — CID 164604076

IUPACN-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCOCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCCCC2)C1
InChIInChI=1S/C22H40N2O4/c1-16(2)21(25)23-20(17(3)28-15-18-9-6-5-7-10-18)22(26)24-12-8-11-19(13-24)14-27-4/h16-20H,5-15H2,1-4H3,(H,23,25)
InChIKeyOILKTMSRATWSSG-UHFFFAOYSA-N
MW396.57 g/mol
LogP3.00
Rot. Bonds9

About N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide

N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 164604076) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID164604076
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC NameN-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCOCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCCCC2)C1
InChIInChI=1S/C22H40N2O4/c1-16(2)21(25)23-20(17(3)28-15-18-9-6-5-7-10-18)22(26)24-12-8-11-19(13-24)14-27-4/h16-20H,5-15H2,1-4H3,(H,23,25)
InChIKeyOILKTMSRATWSSG-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide (CID 164604076) is N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide is COCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCCCC2)C1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is OILKTMSRATWSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-16(2)21(25)23-20(17(3)28-15-18-9-6-5-7-10-18)22(26)24-12-8-11-19(13-24)14-27-4/h16-20H,5-15H2,1-4H3,(H,23,25).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 396.57 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 164604076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).