N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C22H32N4O2 — CID 55537421

IUPACN-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(CCOc3ccccc3)CC2)CCCCCC1
InChIInChI=1S/C22H32N4O2/c23-19-22(10-6-1-2-7-11-22)24-21(27)18-26-14-12-25(13-15-26)16-17-28-20-8-4-3-5-9-20/h3-5,8-9H,1-2,6-7,10-18H2,(H,24,27)
InChIKeyAYBYHQFSOGCTQG-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.42
Rot. Bonds7

About N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 55537421) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID55537421
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(CCOc3ccccc3)CC2)CCCCCC1
InChIInChI=1S/C22H32N4O2/c23-19-22(10-6-1-2-7-11-22)24-21(27)18-26-14-12-25(13-15-26)16-17-28-20-8-4-3-5-9-20/h3-5,8-9H,1-2,6-7,10-18H2,(H,24,27)
InChIKeyAYBYHQFSOGCTQG-UHFFFAOYSA-N
XLogP2.42
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 35803587
N-(1-cyanocyclopentyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944552
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4824530
2-[4-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55538320
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
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-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 55537421) is N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is N#CC1(NC(=O)CN2CCN(CCOc3ccccc3)CC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is AYBYHQFSOGCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c23-19-22(10-6-1-2-7-11-22)24-21(27)18-26-14-12-25(13-15-26)16-17-28-20-8-4-3-5-9-20/h3-5,8-9H,1-2,6-7,10-18H2,(H,24,27).
What are the key properties of N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55537421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).