4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one

C24H25Cl2N5O4S — CID 23447600

IUPAC4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(c1cc(Cl)ncn1)C1(O)CCNCC1
InChIInChI=1S/C24H25Cl2N5O4S/c25-18-3-1-17-12-19(4-2-16(17)11-18)36(34,35)30-9-10-31(22(32)14-30)23(20-13-21(26)29-15-28-20)24(33)5-7-27-8-6-24/h1-4,11-13,15,23,27,33H,5-10,14H2
InChIKeyYJLJBGCYWJTOEC-UHFFFAOYSA-N
MW550.47 g/mol
LogP2.63
Rot. Bonds5

About 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one

4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one (PubChem CID 23447600) has the molecular formula C24H25Cl2N5O4S and a molecular weight of 550.47 g/mol. Its IUPAC name is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one
PubChem CID23447600
Molecular FormulaC24H25Cl2N5O4S
Molecular Weight550.47 g/mol
Exact Mass549.10
IUPAC Name4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(c1cc(Cl)ncn1)C1(O)CCNCC1
InChIInChI=1S/C24H25Cl2N5O4S/c25-18-3-1-17-12-19(4-2-16(17)11-18)36(34,35)30-9-10-31(22(32)14-30)23(20-13-21(26)29-15-28-20)24(33)5-7-27-8-6-24/h1-4,11-13,15,23,27,33H,5-10,14H2
InChIKeyYJLJBGCYWJTOEC-UHFFFAOYSA-N
XLogP2.63
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-chloronaphthalen-2-yl)sulfonyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-one
CID 23447419
6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 23447339
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
CID 5289586
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate
CID 22727188
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]acetic acid
CID 22727182
methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride
CID 23447475
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carboximidamide;dihydrochloride
CID 23447407
N'-[4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]cyclohexyl]ethanimidamide
CID 23447346
4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxo-1,4-diazepan-1-yl]methyl]benzonitrile
CID 23447306
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[ethyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one
CID 22727119
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methanone;hydrochloride
CID 22709763

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one?
The IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one (CID 23447600) is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one is O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(c1cc(Cl)ncn1)C1(O)CCNCC1.
What is the InChIKey of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one?
The InChIKey is YJLJBGCYWJTOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O4S/c25-18-3-1-17-12-19(4-2-16(17)11-18)36(34,35)30-9-10-31(22(32)14-30)23(20-13-21(26)29-15-28-20)24(33)5-7-27-8-6-24/h1-4,11-13,15,23,27,33H,5-10,14H2.
What are the key properties of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one?
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one has a molecular weight of 550.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 23447600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).