1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine

C22H29N3O4S2 — CID 1166947

IUPAC1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C22H29N3O4S2/c1-19-11-13-24(14-12-19)30(26,27)21-7-9-22(10-8-21)31(28,29)25-17-15-23(16-18-25)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3
InChIKeyVAZNPVAKBIEKBW-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.62
Rot. Bonds5

About 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine

1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine (PubChem CID 1166947) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
PubChem CID1166947
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC Name1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
SMILESCC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C22H29N3O4S2/c1-19-11-13-24(14-12-19)30(26,27)21-7-9-22(10-8-21)31(28,29)25-17-15-23(16-18-25)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3
InChIKeyVAZNPVAKBIEKBW-UHFFFAOYSA-N
XLogP2.62
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 3192476
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 2975834
cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110412122
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
ethane;4-methyl-1-phenylpiperidine
CID 143180672
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 52724326
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine (CID 1166947) is 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine is CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
The InChIKey is VAZNPVAKBIEKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-19-11-13-24(14-12-19)30(26,27)21-7-9-22(10-8-21)31(28,29)25-17-15-23(16-18-25)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3.
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine has a molecular weight of 463.63 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 1166947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).