cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone

C19H26N2O2 — CID 84546397

IUPACcyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-2-15-7-9-17(10-8-15)19(23)21-13-11-20(12-14-21)18(22)16-5-3-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyZFAZOIOVVUEVIO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.72
Rot. Bonds3

About cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone

cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone (PubChem CID 84546397) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
PubChem CID84546397
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namecyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-2-15-7-9-17(10-8-15)19(23)21-13-11-20(12-14-21)18(22)16-5-3-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyZFAZOIOVVUEVIO-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
cyclobutyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110809297
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
(1-butylsulfonylpiperidin-4-yl)-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55766941
cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone (CID 84546397) is cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is ZFAZOIOVVUEVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-15-7-9-17(10-8-15)19(23)21-13-11-20(12-14-21)18(22)16-5-3-4-6-16/h7-10,16H,2-6,11-14H2,1H3.
What are the key properties of cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 84546397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).