N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

C17H29N3O3 — CID 45214983

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1CCOC1=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H29N3O3/c21-16(13-20-9-10-23-17(20)22)18-15-7-4-8-19(12-15)11-14-5-2-1-3-6-14/h14-15H,1-13H2,(H,18,21)
InChIKeyXJOKLXYTNUFNFX-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (PubChem CID 45214983) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
PubChem CID45214983
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1CCOC1=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H29N3O3/c21-16(13-20-9-10-23-17(20)22)18-15-7-4-8-19(12-15)11-14-5-2-1-3-6-14/h14-15H,1-13H2,(H,18,21)
InChIKeyXJOKLXYTNUFNFX-UHFFFAOYSA-N
XLogP1.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide (CID 45214983) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is O=C(CN1CCOC1=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is XJOKLXYTNUFNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-16(13-20-9-10-23-17(20)22)18-15-7-4-8-19(12-15)11-14-5-2-1-3-6-14/h14-15H,1-13H2,(H,18,21).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 45214983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).