N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide

C20H26N4O2 — CID 39687530

IUPACN-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide
SMILESN#CC1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H26N4O2/c21-16-20(8-4-5-9-20)19(26)24-12-10-23(11-13-24)15-18(25)22-14-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2,(H,22,25)
InChIKeyFKPUSZTYJWDLEZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.53
Rot. Bonds5

About N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide (PubChem CID 39687530) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide
PubChem CID39687530
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide
SMILESN#CC1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H26N4O2/c21-16-20(8-4-5-9-20)19(26)24-12-10-23(11-13-24)15-18(25)22-14-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2,(H,22,25)
InChIKeyFKPUSZTYJWDLEZ-UHFFFAOYSA-N
XLogP1.53
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide (CID 39687530) is N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide is N#CC1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCCC1.
What is the InChIKey of N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide?
The InChIKey is FKPUSZTYJWDLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-16-20(8-4-5-9-20)19(26)24-12-10-23(11-13-24)15-18(25)22-14-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2,(H,22,25).
What are the key properties of N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 39687530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).