[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol

C23H33N5O4S — CID 59993249

IUPAC[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3ncc(CO)c(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H33N5O4S/c1-18(22-24-16-19(17-29)23(25-22)27-10-4-3-5-11-27)26-12-14-28(15-13-26)33(30,31)21-8-6-20(32-2)7-9-21/h6-9,16,18,29H,3-5,10-15,17H2,1-2H3
InChIKeyTUILZUQYLDRPCN-UHFFFAOYSA-N
MW475.62 g/mol
LogP2.04
Rot. Bonds7

About [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol

[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol (PubChem CID 59993249) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol
PubChem CID59993249
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC Name[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3ncc(CO)c(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H33N5O4S/c1-18(22-24-16-19(17-29)23(25-22)27-10-4-3-5-11-27)26-12-14-28(15-13-26)33(30,31)21-8-6-20(32-2)7-9-21/h6-9,16,18,29H,3-5,10-15,17H2,1-2H3
InChIKeyTUILZUQYLDRPCN-UHFFFAOYSA-N
XLogP2.04
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 59993380
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-pyrrolidin-1-ylquinazoline
CID 59993146
[1-[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]piperidin-4-yl]methanol
CID 59993435
[1-[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]piperidin-2-yl]methanol
CID 91335628
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462
2-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 92753675
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 98046943
2-[(1R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 92753550
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
2-[(1S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 92753551
[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 118384872
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311

Frequently Asked Questions

What is the IUPAC name of [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol (CID 59993249) is [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol is COc1ccc(S(=O)(=O)N2CCN(C(C)c3ncc(CO)c(N4CCCCC4)n3)CC2)cc1.
What is the InChIKey of [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol?
The InChIKey is TUILZUQYLDRPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-18(22-24-16-19(17-29)23(25-22)27-10-4-3-5-11-27)26-12-14-28(15-13-26)33(30,31)21-8-6-20(32-2)7-9-21/h6-9,16,18,29H,3-5,10-15,17H2,1-2H3.
What are the key properties of [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol?
[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol has a molecular weight of 475.62 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol is sourced from PubChem (CID 59993249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).