[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone

C21H24N2O — CID 13041721

IUPAC[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1CN1Cc2ccccc2C1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(23-12-6-1-7-13-23)20-11-5-4-10-19(20)16-22-14-17-8-2-3-9-18(17)15-22/h2-5,8-11H,1,6-7,12-16H2
InChIKeyCHTPAFHTXUNRMY-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.83
Rot. Bonds3

About [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone

[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 13041721) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
PubChem CID13041721
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1CN1Cc2ccccc2C1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(23-12-6-1-7-13-23)20-11-5-4-10-19(20)16-22-14-17-8-2-3-9-18(17)15-22/h2-5,8-11H,1,6-7,12-16H2
InChIKeyCHTPAFHTXUNRMY-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-(piperidine-1-carbonyl)phenyl]ethanethioamide
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2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
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1-[[2-(pyrrolidine-1-carbonyl)phenyl]methylamino]piperidine-2,6-dione
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2-(piperidine-1-carbonyl)phenolate
CID 101121314
azepan-1-yl-(2-methylphenyl)methanone
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(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
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CID 558730

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone (CID 13041721) is [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccccc1CN1Cc2ccccc2C1)N1CCCCC1.
What is the InChIKey of [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is CHTPAFHTXUNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(23-12-6-1-7-13-23)20-11-5-4-10-19(20)16-22-14-17-8-2-3-9-18(17)15-22/h2-5,8-11H,1,6-7,12-16H2.
What are the key properties of [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone?
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 320.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 13041721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).