4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride

C18H26ClN3O2 — CID 120741572

IUPAC4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCNC(=O)C2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-13-3-5-14(6-4-13)16-12-19-9-10-21(16)18(23)15-7-8-20-17(22)11-15;/h3-6,15-16,19H,2,7-12H2,1H3,(H,20,22);1H
InChIKeyIKNWOZHAFLMFLX-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.67
Rot. Bonds3

About 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride (PubChem CID 120741572) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
PubChem CID120741572
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCNC(=O)C2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-13-3-5-14(6-4-13)16-12-19-9-10-21(16)18(23)15-7-8-20-17(22)11-15;/h3-6,15-16,19H,2,7-12H2,1H3,(H,20,22);1H
InChIKeyIKNWOZHAFLMFLX-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120740736
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride (CID 120741572) is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C2CCNC(=O)C2)cc1.Cl.
What is the InChIKey of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
The InChIKey is IKNWOZHAFLMFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-2-13-3-5-14(6-4-13)16-12-19-9-10-21(16)18(23)15-7-8-20-17(22)11-15;/h3-6,15-16,19H,2,7-12H2,1H3,(H,20,22);1H.
What are the key properties of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride?
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 120741572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).