N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide

C19H34N2O3 — CID 171593899

IUPACN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(COCC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-15(2)18(22)20-17(19(23)21-11-7-4-8-12-21)14-24-13-16-9-5-3-6-10-16/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyMSNMENVXBKGCEJ-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.74
Rot. Bonds7

About N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide

N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide (PubChem CID 171593899) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
PubChem CID171593899
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(COCC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-15(2)18(22)20-17(19(23)21-11-7-4-8-12-21)14-24-13-16-9-5-3-6-10-16/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKeyMSNMENVXBKGCEJ-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide (CID 171593899) is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(COCC1CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
The InChIKey is MSNMENVXBKGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-15(2)18(22)20-17(19(23)21-11-7-4-8-12-21)14-24-13-16-9-5-3-6-10-16/h15-17H,3-14H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide?
N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide has a molecular weight of 338.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 171593899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).