N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide

C18H32N2O3 — CID 164605079

IUPACN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-14(23-13-16-9-5-3-6-10-16)17(19-15(2)21)18(22)20-11-7-4-8-12-20/h14,16-17H,3-13H2,1-2H3,(H,19,21)
InChIKeyTVYICHTYIRYEIP-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide

N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide (PubChem CID 164605079) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
PubChem CID164605079
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC NameN-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H32N2O3/c1-14(23-13-16-9-5-3-6-10-16)17(19-15(2)21)18(22)20-11-7-4-8-12-20/h14,16-17H,3-13H2,1-2H3,(H,19,21)
InChIKeyTVYICHTYIRYEIP-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.49
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-ylbutan-2-yl]acetamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide (CID 164605079) is N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCCC1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
The InChIKey is TVYICHTYIRYEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(23-13-16-9-5-3-6-10-16)17(19-15(2)21)18(22)20-11-7-4-8-12-20/h14,16-17H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide?
N-[3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 2.49, 6 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-ylbutan-2-yl]acetamide is sourced from PubChem (CID 164605079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).