3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide

C18H18Cl2N6O2 — CID 178146534

IUPAC3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
SMILESCn1cnc2cnc(N3CCC(NC(=O)c4cc(Cl)cc(Cl)c4O)CC3)nc21
InChIInChI=1S/C18H18Cl2N6O2/c1-25-9-22-14-8-21-18(24-16(14)25)26-4-2-11(3-5-26)23-17(28)12-6-10(19)7-13(20)15(12)27/h6-9,11,27H,2-5H2,1H3,(H,23,28)
InChIKeyDZIAZIWQIQGAAM-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.77
Rot. Bonds3

About 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide

3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide (PubChem CID 178146534) has the molecular formula C18H18Cl2N6O2 and a molecular weight of 421.29 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
PubChem CID178146534
Molecular FormulaC18H18Cl2N6O2
Molecular Weight421.29 g/mol
Exact Mass420.09
IUPAC Name3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
SMILESCn1cnc2cnc(N3CCC(NC(=O)c4cc(Cl)cc(Cl)c4O)CC3)nc21
InChIInChI=1S/C18H18Cl2N6O2/c1-25-9-22-14-8-21-18(24-16(14)25)26-4-2-11(3-5-26)23-17(28)12-6-10(19)7-13(20)15(12)27/h6-9,11,27H,2-5H2,1H3,(H,23,28)
InChIKeyDZIAZIWQIQGAAM-UHFFFAOYSA-N
XLogP2.77
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738541
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278
3,5-dichloro-2-hydroxy-N-[(3S)-1-[3-[(E)-prop-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738243
3-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501776
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
CID 178146238
3,5-dichloro-N-[(3S,5S)-5-ethyl-1-([1,3]thiazolo[5,4-b]pyridin-5-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738337
[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
CID 178146528
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47045712

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide (CID 178146534) is 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide is Cn1cnc2cnc(N3CCC(NC(=O)c4cc(Cl)cc(Cl)c4O)CC3)nc21.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide?
The InChIKey is DZIAZIWQIQGAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O2/c1-25-9-22-14-8-21-18(24-16(14)25)26-4-2-11(3-5-26)23-17(28)12-6-10(19)7-13(20)15(12)27/h6-9,11,27H,2-5H2,1H3,(H,23,28).
What are the key properties of 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide?
3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide has a molecular weight of 421.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 178146534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).