N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide

C16H27N3O — CID 47281127

IUPACN-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27N3O/c1-2-14-6-10-19(11-7-14)12-15(20)18-16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20)
InChIKeyBAXAVKVLIWPDJI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide

N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide (PubChem CID 47281127) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
PubChem CID47281127
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C16H27N3O/c1-2-14-6-10-19(11-7-14)12-15(20)18-16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20)
InChIKeyBAXAVKVLIWPDJI-UHFFFAOYSA-N
XLogP2.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 48736687
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 128926598
N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide (CID 47281127) is N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide is CCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide?
The InChIKey is BAXAVKVLIWPDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-14-6-10-19(11-7-14)12-15(20)18-16(13-17)8-4-3-5-9-16/h14H,2-12H2,1H3,(H,18,20).
What are the key properties of N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 47281127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).