2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide

C19H25ClN4O — CID 8591164

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C19H25ClN4O/c1-15-4-5-16(20)12-17(15)24-10-8-23(9-11-24)13-18(25)22-19(14-21)6-2-3-7-19/h4-5,12H,2-3,6-11,13H2,1H3,(H,22,25)
InChIKeyAXNGNGODRMKKQW-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 8591164) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
PubChem CID8591164
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C19H25ClN4O/c1-15-4-5-16(20)12-17(15)24-10-8-23(9-11-24)13-18(25)22-19(14-21)6-2-3-7-19/h4-5,12H,2-3,6-11,13H2,1H3,(H,22,25)
InChIKeyAXNGNGODRMKKQW-UHFFFAOYSA-N
XLogP2.72
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4824530
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22199281
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8591406
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721
4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8591306
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 4120374

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (CID 8591164) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)NC2(C#N)CCCC2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is AXNGNGODRMKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-15-4-5-16(20)12-17(15)24-10-8-23(9-11-24)13-18(25)22-19(14-21)6-2-3-7-19/h4-5,12H,2-3,6-11,13H2,1H3,(H,22,25).
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 360.89 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 8591164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).