3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one

C19H32N4O — CID 90561520

IUPAC3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCCc1nccn1CCN1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C19H32N4O/c1-2-18-20-9-10-22(18)14-11-21-12-15-23(16-13-21)19(24)8-7-17-5-3-4-6-17/h9-10,17H,2-8,11-16H2,1H3
InChIKeyMWRHHPMZULPTDA-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.56
Rot. Bonds7

About 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 90561520) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
PubChem CID90561520
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCCc1nccn1CCN1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C19H32N4O/c1-2-18-20-9-10-22(18)14-11-21-12-15-23(16-13-21)19(24)8-7-17-5-3-4-6-17/h9-10,17H,2-8,11-16H2,1H3
InChIKeyMWRHHPMZULPTDA-UHFFFAOYSA-N
XLogP2.56
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561527
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 90561530
3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 45284187
cyclohex-3-en-1-yl-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561708
ethyl 4-[2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 90561718
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561459
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561700
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 90561883

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one (CID 90561520) is 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one is CCc1nccn1CCN1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is MWRHHPMZULPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-2-18-20-9-10-22(18)14-11-21-12-15-23(16-13-21)19(24)8-7-17-5-3-4-6-17/h9-10,17H,2-8,11-16H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 332.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 90561520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).