1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone

C21H37N3O2 — CID 176683679

IUPAC1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone
SMILESCCN1CCN(CCC2CCN(C(=O)C3CCC(C(C)=O)C3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-3-22-12-14-23(15-13-22)9-6-18-7-10-24(11-8-18)21(26)20-5-4-19(16-20)17(2)25/h18-20H,3-16H2,1-2H3
InChIKeyAURPKUATYJGNMG-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.26
Rot. Bonds6

About 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone

1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone (PubChem CID 176683679) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone
PubChem CID176683679
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone
SMILESCCN1CCN(CCC2CCN(C(=O)C3CCC(C(C)=O)C3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-3-22-12-14-23(15-13-22)9-6-18-7-10-24(11-8-18)21(26)20-5-4-19(16-20)17(2)25/h18-20H,3-16H2,1-2H3
InChIKeyAURPKUATYJGNMG-UHFFFAOYSA-N
XLogP2.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone with MolForge

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Related Compounds

1-(2-cyclopropylethyl)-4-ethylpiperazine
CID 171795940
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 119879435
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
CID 45182196
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
4-[4-[3-(4-ethylpiperidin-1-yl)propyl]piperidine-1-carbonyl]cyclohexane-1-carbonyl iodide
CID 176684101
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexyl]ethanone
CID 176683929

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone?
The IUPAC name of 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone (CID 176683679) is 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone?
The canonical SMILES for 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone is CCN1CCN(CCC2CCN(C(=O)C3CCC(C(C)=O)C3)CC2)CC1.
What is the InChIKey of 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone?
The InChIKey is AURPKUATYJGNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-3-22-12-14-23(15-13-22)9-6-18-7-10-24(11-8-18)21(26)20-5-4-19(16-20)17(2)25/h18-20H,3-16H2,1-2H3.
What are the key properties of 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone?
1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone has a molecular weight of 363.55 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]cyclopentyl]ethanone is sourced from PubChem (CID 176683679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).