2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine

C23H31N5O2S — CID 122344254

IUPAC2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C23H31N5O2S/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/h8-11,18H,1-7,12-17H2
InChIKeyQBZCAIRAKWYDQE-UHFFFAOYSA-N
MW441.60 g/mol
LogP2.86
Rot. Bonds4

About 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine

2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine (PubChem CID 122344254) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
PubChem CID122344254
Molecular FormulaC23H31N5O2S
Molecular Weight441.60 g/mol
Exact Mass441.22
IUPAC Name2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C23H31N5O2S/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/h8-11,18H,1-7,12-17H2
InChIKeyQBZCAIRAKWYDQE-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 122344045
4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122344247
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36723855
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 122343946
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
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 70703577
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 23605772
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine (CID 122344254) is 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine?
The InChIKey is QBZCAIRAKWYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/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/h8-11,18H,1-7,12-17H2.
What are the key properties of 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine?
2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine has a molecular weight of 441.60 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 122344254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).