N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

C20H28N4O — CID 34944552

IUPACN-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(CCc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H28N4O/c21-17-20(9-4-5-10-20)22-19(25)16-24-14-12-23(13-15-24)11-8-18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-16H2,(H,22,25)
InChIKeyXSCMVRVUOJANCF-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.80
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 34944552) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID34944552
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(CCc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H28N4O/c21-17-20(9-4-5-10-20)22-19(25)16-24-14-12-23(13-15-24)11-8-18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-16H2,(H,22,25)
InChIKeyXSCMVRVUOJANCF-UHFFFAOYSA-N
XLogP1.80
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
N-(1-cyanocyclopentyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4824530
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 35803587
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134533
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55538320
N-(1-cyanocyclohexyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30704546
N-(1-cyanocyclopentyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393591
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (CID 34944552) is N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is N#CC1(NC(=O)CN2CCN(CCc3ccccc3)CC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is XSCMVRVUOJANCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c21-17-20(9-4-5-10-20)22-19(25)16-24-14-12-23(13-15-24)11-8-18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-16H2,(H,22,25).
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34944552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).