[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride

C20H32ClN3O3S — CID 119401603

IUPAC[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNCC3)CC2)cc1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-20(2,3)17-4-6-18(7-5-17)27(25,26)23-12-8-16(9-13-23)19(24)22-14-10-21-11-15-22;/h4-7,16,21H,8-15H2,1-3H3;1H
InChIKeyDVJNQFROCZYFFA-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.24
Rot. Bonds3

About [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride

[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119401603) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119401603
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNCC3)CC2)cc1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-20(2,3)17-4-6-18(7-5-17)27(25,26)23-12-8-16(9-13-23)19(24)22-14-10-21-11-15-22;/h4-7,16,21H,8-15H2,1-3H3;1H
InChIKeyDVJNQFROCZYFFA-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31190301
piperidin-4-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266637
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576431
[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401570
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
1,4-diazepan-1-yl-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119415387
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
cis-(1R,2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 27527765

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride (CID 119401603) is [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNCC3)CC2)cc1.Cl.
What is the InChIKey of [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is DVJNQFROCZYFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-20(2,3)17-4-6-18(7-5-17)27(25,26)23-12-8-16(9-13-23)19(24)22-14-10-21-11-15-22;/h4-7,16,21H,8-15H2,1-3H3;1H.
What are the key properties of [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride?
[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119401603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).