2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide

C17H28N4O2 — CID 48736687

IUPAC2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
SMILESCC(=O)N(C)C1CCN(CC(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-14(22)20(2)15-6-10-21(11-7-15)12-16(23)19-17(13-18)8-4-3-5-9-17/h15H,3-12H2,1-2H3,(H,19,23)
InChIKeyWXAHVNIZATUYIC-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.27
Rot. Bonds4

About 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide

2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 48736687) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
PubChem CID48736687
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
SMILESCC(=O)N(C)C1CCN(CC(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C17H28N4O2/c1-14(22)20(2)15-6-10-21(11-7-15)12-16(23)19-17(13-18)8-4-3-5-9-17/h15H,3-12H2,1-2H3,(H,19,23)
InChIKeyWXAHVNIZATUYIC-UHFFFAOYSA-N
XLogP1.27
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
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
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 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide (CID 48736687) is 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide is CC(=O)N(C)C1CCN(CC(=O)NC2(C#N)CCCCC2)CC1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is WXAHVNIZATUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14(22)20(2)15-6-10-21(11-7-15)12-16(23)19-17(13-18)8-4-3-5-9-17/h15H,3-12H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 48736687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).