2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide

C14H23N3O — CID 54989367

IUPAC2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide
SMILESN#CC1CCCCC1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H23N3O/c15-10-12-3-1-2-4-13(12)17-7-5-11(6-8-17)9-14(16)18/h11-13H,1-9H2,(H2,16,18)
InChIKeyFEFXIELHPPPORG-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds3

About 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide

2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide (PubChem CID 54989367) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide
PubChem CID54989367
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide
SMILESN#CC1CCCCC1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H23N3O/c15-10-12-3-1-2-4-13(12)17-7-5-11(6-8-17)9-14(16)18/h11-13H,1-9H2,(H2,16,18)
InChIKeyFEFXIELHPPPORG-UHFFFAOYSA-N
XLogP1.66
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide (CID 54989367) is 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide is N#CC1CCCCC1N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide?
The InChIKey is FEFXIELHPPPORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c15-10-12-3-1-2-4-13(12)17-7-5-11(6-8-17)9-14(16)18/h11-13H,1-9H2,(H2,16,18).
What are the key properties of 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide?
2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyanocyclohexyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54989367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).