cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone

C20H28N2O3 — CID 110801618

IUPACcyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(OC)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-3-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyZFJJNDLCMFFYCX-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.73
Rot. Bonds4

About cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone

cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 110801618) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
PubChem CID110801618
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Namecyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(OC)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-3-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3
InChIKeyZFJJNDLCMFFYCX-UHFFFAOYSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732304
N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide
CID 110812489
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801953
N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110800478

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone (CID 110801618) is cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone is CCc1ccc(OC)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is ZFJJNDLCMFFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-15-8-9-18(25-2)17(14-15)20(24)22-12-10-21(11-13-22)19(23)16-6-4-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3.
What are the key properties of cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).