4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine

C23H27N5O2S — CID 122344045

IUPAC4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C23H27N5O2S/c29-31(30,21-9-8-19-6-2-3-7-20(19)18-21)28-16-14-26(15-17-28)22-10-11-24-23(25-22)27-12-4-1-5-13-27/h2-3,6-11,18H,1,4-5,12-17H2
InChIKeyXKUZFVHPVNIZLD-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.13
Rot. Bonds4

About 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine

4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine (PubChem CID 122344045) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
PubChem CID122344045
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C23H27N5O2S/c29-31(30,21-9-8-19-6-2-3-7-20(19)18-21)28-16-14-26(15-17-28)22-10-11-24-23(25-22)27-12-4-1-5-13-27/h2-3,6-11,18H,1,4-5,12-17H2
InChIKeyXKUZFVHPVNIZLD-UHFFFAOYSA-N
XLogP3.13
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 53093497
2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
CID 122344254
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122344247
4-methoxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 17413776
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 122343946
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-methoxy-5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide
CID 122343959
2-pyrrolidin-1-yl-4-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921428
2-pyrrolidin-1-yl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 122343717
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 70703577

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine (CID 122344045) is 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
The InChIKey is XKUZFVHPVNIZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c29-31(30,21-9-8-19-6-2-3-7-20(19)18-21)28-16-14-26(15-17-28)22-10-11-24-23(25-22)27-12-4-1-5-13-27/h2-3,6-11,18H,1,4-5,12-17H2.
What are the key properties of 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine?
4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine has a molecular weight of 437.57 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 122344045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).