4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride

C18H29ClN4O3S — CID 120740686

IUPAC4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(S(N)(=O)=O)CC2)cc1.Cl
InChIInChI=1S/C18H28N4O3S.ClH/c1-2-14-3-5-15(6-4-14)17-13-20-9-12-22(17)18(23)16-7-10-21(11-8-16)26(19,24)25;/h3-6,16-17,20H,2,7-13H2,1H3,(H2,19,24,25);1H
InChIKeyPBQGEHSKDABXRI-UHFFFAOYSA-N
MW416.98 g/mol
LogP1.06
Rot. Bonds4

About 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride (PubChem CID 120740686) has the molecular formula C18H29ClN4O3S and a molecular weight of 416.98 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
PubChem CID120740686
Molecular FormulaC18H29ClN4O3S
Molecular Weight416.98 g/mol
Exact Mass416.16
IUPAC Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCN(S(N)(=O)=O)CC2)cc1.Cl
InChIInChI=1S/C18H28N4O3S.ClH/c1-2-14-3-5-15(6-4-14)17-13-20-9-12-22(17)18(23)16-7-10-21(11-8-16)26(19,24)25;/h3-6,16-17,20H,2,7-13H2,1H3,(H2,19,24,25);1H
InChIKeyPBQGEHSKDABXRI-UHFFFAOYSA-N
XLogP1.06
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.98
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 120740376
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride (CID 120740686) is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C2CCN(S(N)(=O)=O)CC2)cc1.Cl.
What is the InChIKey of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride?
The InChIKey is PBQGEHSKDABXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S.ClH/c1-2-14-3-5-15(6-4-14)17-13-20-9-12-22(17)18(23)16-7-10-21(11-8-16)26(19,24)25;/h3-6,16-17,20H,2,7-13H2,1H3,(H2,19,24,25);1H.
What are the key properties of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride?
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride has a molecular weight of 416.98 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120740686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).