5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

C23H31N5O5S — CID 3243195

IUPAC5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)C3)CC2)c1
InChIInChI=1S/C23H31N5O5S/c1-15-6-7-16(2)19(13-15)26-9-11-27(12-10-26)22(30)18-5-4-8-28(14-18)34(32,33)20-17(3)24-23(31)25-21(20)29/h6-7,13,18H,4-5,8-12,14H2,1-3H3,(H2,24,25,29,31)
InChIKeyWAHJCGJGSSFJSM-UHFFFAOYSA-N
MW489.60 g/mol
LogP0.74
Rot. Bonds4

About 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 3243195) has the molecular formula C23H31N5O5S and a molecular weight of 489.60 g/mol. Its IUPAC name is 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID3243195
Molecular FormulaC23H31N5O5S
Molecular Weight489.60 g/mol
Exact Mass489.20
IUPAC Name5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)C3)CC2)c1
InChIInChI=1S/C23H31N5O5S/c1-15-6-7-16(2)19(13-15)26-9-11-27(12-10-26)22(30)18-5-4-8-28(14-18)34(32,33)20-17(3)24-23(31)25-21(20)29/h6-7,13,18H,4-5,8-12,14H2,1-3H3,(H2,24,25,29,31)
InChIKeyWAHJCGJGSSFJSM-UHFFFAOYSA-N
XLogP0.74
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 42655923
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone
CID 46276241
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4290756
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 2210340
[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 49457529
[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 27151971
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 93065582
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 3245157
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 95073333
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 42653754
(3S)-N-(3,5-dichlorophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39035664
N-[(3-chlorophenyl)methyl]-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 42655209

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (CID 3243195) is 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)C3)CC2)c1.
What is the InChIKey of 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is WAHJCGJGSSFJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5S/c1-15-6-7-16(2)19(13-15)26-9-11-27(12-10-26)22(30)18-5-4-8-28(14-18)34(32,33)20-17(3)24-23(31)25-21(20)29/h6-7,13,18H,4-5,8-12,14H2,1-3H3,(H2,24,25,29,31).
What are the key properties of 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 489.60 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3243195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).