N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide

C16H27N3O2 — CID 111106823

IUPACN-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCC(O)C1CCCCN1CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(20)14-7-3-6-10-19(14)11-15(21)18-16(12-17)8-4-2-5-9-16/h13-14,20H,2-11H2,1H3,(H,18,21)
InChIKeyPCHPYWIEMJKGQY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.56
Rot. Bonds4

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

N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 111106823) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID111106823
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCC(O)C1CCCCN1CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(20)14-7-3-6-10-19(14)11-15(21)18-16(12-17)8-4-2-5-9-16/h13-14,20H,2-11H2,1H3,(H,18,21)
InChIKeyPCHPYWIEMJKGQY-UHFFFAOYSA-N
XLogP1.56
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 94632936
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62015517
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocycloheptyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102789059
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propylacetamide
CID 111107007
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 128926598
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95352596
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 111107052
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755298
N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 39998511
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide (CID 111106823) is N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide is CC(O)C1CCCCN1CC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is PCHPYWIEMJKGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(20)14-7-3-6-10-19(14)11-15(21)18-16(12-17)8-4-2-5-9-16/h13-14,20H,2-11H2,1H3,(H,18,21).
What are the key properties of N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 111106823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).