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

C20H28N2O3 — CID 110801609

IUPACcyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-15-25-18-9-7-17(8-10-18)20(24)22-13-11-21(12-14-22)19(23)16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3
InChIKeySLGUYXOUPQTPNT-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.95
Rot. Bonds5

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

cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 110801609) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
PubChem CID110801609
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Namecyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-15-25-18-9-7-17(8-10-18)20(24)22-13-11-21(12-14-22)19(23)16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3
InChIKeySLGUYXOUPQTPNT-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-butoxybenzoyl)-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110809316
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
oxolan-2-yl-[4-(4-propoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807125
(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone (CID 110801609) is cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone is CCCOc1ccc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is SLGUYXOUPQTPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-15-25-18-9-7-17(8-10-18)20(24)22-13-11-21(12-14-22)19(23)16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3.
What are the key properties of cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).