[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

C24H24ClNO3 — CID 172671599

IUPAC[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(Cl)cc1-c1cccc2cc(C(=O)N3CCCC(O)(CO)C3)ccc12
InChIInChI=1S/C24H24ClNO3/c1-16-6-8-19(25)13-22(16)21-5-2-4-17-12-18(7-9-20(17)21)23(28)26-11-3-10-24(29,14-26)15-27/h2,4-9,12-13,27,29H,3,10-11,14-15H2,1H3
InChIKeyQZRVCXYAURNDDG-UHFFFAOYSA-N
MW409.91 g/mol
LogP4.43
Rot. Bonds3

About [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 172671599) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID172671599
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(Cl)cc1-c1cccc2cc(C(=O)N3CCCC(O)(CO)C3)ccc12
InChIInChI=1S/C24H24ClNO3/c1-16-6-8-19(25)13-22(16)21-5-2-4-17-12-18(7-9-20(17)21)23(28)26-11-3-10-24(29,14-26)15-27/h2,4-9,12-13,27,29H,3,10-11,14-15H2,1H3
InChIKeyQZRVCXYAURNDDG-UHFFFAOYSA-N
XLogP4.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95720301
(4-chloro-2-methylphenyl)-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 95707286
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[5-(5-methyl-1H-indol-3-yl)naphthalen-2-yl]methanone
CID 175645431
3-ethyl-6-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 138036070
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56900534
1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910797
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95713723
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 166294695

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 172671599) is [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1ccc(Cl)cc1-c1cccc2cc(C(=O)N3CCCC(O)(CO)C3)ccc12.
What is the InChIKey of [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is QZRVCXYAURNDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-16-6-8-19(25)13-22(16)21-5-2-4-17-12-18(7-9-20(17)21)23(28)26-11-3-10-24(29,14-26)15-27/h2,4-9,12-13,27,29H,3,10-11,14-15H2,1H3.
What are the key properties of [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 409.91 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 172671599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).