N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide

C22H32N4O4 — CID 9127803

IUPACN-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC3(C#N)CCCC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H32N4O4/c1-28-18-7-6-17(20(29-2)21(18)30-3)14-25-10-12-26(13-11-25)15-19(27)24-22(16-23)8-4-5-9-22/h6-7H,4-5,8-15H2,1-3H3,(H,24,27)
InChIKeyRTXFCSRAFFTCAR-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.78
Rot. Bonds8

About N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9127803) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9127803
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC3(C#N)CCCC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H32N4O4/c1-28-18-7-6-17(20(29-2)21(18)30-3)14-25-10-12-26(13-11-25)15-19(27)24-22(16-23)8-4-5-9-22/h6-7H,4-5,8-15H2,1-3H3,(H,24,27)
InChIKeyRTXFCSRAFFTCAR-UHFFFAOYSA-N
XLogP1.78
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocyclohexyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33071571
N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127737
N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127677
N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592214
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 9258881
tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
CID 9127701
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55538320
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944552
2-(5-chloro-2-methoxyphenyl)-N-(1-cyanocyclopentyl)acetamide
CID 86913686
N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8833510
N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9127803) is N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)NC3(C#N)CCCC3)CC2)c(OC)c1OC.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is RTXFCSRAFFTCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-28-18-7-6-17(20(29-2)21(18)30-3)14-25-10-12-26(13-11-25)15-19(27)24-22(16-23)8-4-5-9-22/h6-7H,4-5,8-15H2,1-3H3,(H,24,27).
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 416.52 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9127803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).