2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C24H35N5O2 — CID 55538320

IUPAC2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)NC2(C#N)CCCCCC2)CC1
InChIInChI=1S/C24H35N5O2/c1-2-20-9-5-6-10-21(20)26-22(30)17-28-13-15-29(16-14-28)18-23(31)27-24(19-25)11-7-3-4-8-12-24/h5-6,9-10H,2-4,7-8,11-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyAQGYKISKQTZAGX-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.54
Rot. Bonds7

About 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 55538320) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID55538320
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(CC(=O)NC2(C#N)CCCCCC2)CC1
InChIInChI=1S/C24H35N5O2/c1-2-20-9-5-6-10-21(20)26-22(30)17-28-13-15-29(16-14-28)18-23(31)27-24(19-25)11-7-3-4-8-12-24/h5-6,9-10H,2-4,7-8,11-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyAQGYKISKQTZAGX-UHFFFAOYSA-N
XLogP2.54
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide with MolForge

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Related Compounds

N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
methyl 1-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]cyclopentane-1-carboxylate
CID 154758427
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4824530
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944552
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421
N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30704546
N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 87030920
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 55538320) is 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(CC(=O)NC2(C#N)CCCCCC2)CC1.
What is the InChIKey of 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is AQGYKISKQTZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-2-20-9-5-6-10-21(20)26-22(30)17-28-13-15-29(16-14-28)18-23(31)27-24(19-25)11-7-3-4-8-12-24/h5-6,9-10H,2-4,7-8,11-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 425.58 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 55538320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).