2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide

C23H33N5O2 — CID 18270422

IUPAC2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCC1)CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H33N5O2/c1-26(17-21(29)25-23(19-24)10-6-3-7-11-23)18-22(30)28-14-12-27(13-15-28)16-20-8-4-2-5-9-20/h2,4-5,8-9H,3,6-7,10-18H2,1H3,(H,25,29)
InChIKeyUBIGJNTYANWPKU-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.61
Rot. Bonds7

About 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide

2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 18270422) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
PubChem CID18270422
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCC1)CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H33N5O2/c1-26(17-21(29)25-23(19-24)10-6-3-7-11-23)18-22(30)28-14-12-27(13-15-28)16-20-8-4-2-5-9-20/h2,4-5,8-9H,3,6-7,10-18H2,1H3,(H,25,29)
InChIKeyUBIGJNTYANWPKU-UHFFFAOYSA-N
XLogP1.61
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 134018510
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
2-[benzyl(ethyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 18129609
N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 134018511
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944552
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 62687725
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N'-(1-benzyl-4-cyanopiperidin-4-yl)-2,2-dimethylpentanediamide
CID 22063375
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide (CID 18270422) is 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide is CN(CC(=O)NC1(C#N)CCCCC1)CC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is UBIGJNTYANWPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-26(17-21(29)25-23(19-24)10-6-3-7-11-23)18-22(30)28-14-12-27(13-15-28)16-20-8-4-2-5-9-20/h2,4-5,8-9H,3,6-7,10-18H2,1H3,(H,25,29).
What are the key properties of 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide?
2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 18270422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).