N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

C21H35N5O2 — CID 128926598

IUPACN-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC1CCCCN1C(=O)CN1CCN(CC(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C21H35N5O2/c1-18-7-3-6-10-26(18)20(28)16-25-13-11-24(12-14-25)15-19(27)23-21(17-22)8-4-2-5-9-21/h18H,2-16H2,1H3,(H,23,27)
InChIKeyQGBPJKADQXUMRG-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.35
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 128926598) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID128926598
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCC1CCCCN1C(=O)CN1CCN(CC(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C21H35N5O2/c1-18-7-3-6-10-26(18)20(28)16-25-13-11-24(12-14-25)15-19(27)23-21(17-22)8-4-2-5-9-21/h18H,2-16H2,1H3,(H,23,27)
InChIKeyQGBPJKADQXUMRG-UHFFFAOYSA-N
XLogP1.35
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 39998511
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 18208029
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 48736687
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975491
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (CID 128926598) is N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is CC1CCCCN1C(=O)CN1CCN(CC(=O)NC2(C#N)CCCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is QGBPJKADQXUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-18-7-3-6-10-26(18)20(28)16-25-13-11-24(12-14-25)15-19(27)23-21(17-22)8-4-2-5-9-21/h18H,2-16H2,1H3,(H,23,27).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 128926598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).