2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide

C21H23N3O2 — CID 154843739

IUPAC2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(14-19-17-8-4-5-9-18(17)21(26)23-19)22-15-10-12-24(13-11-15)16-6-2-1-3-7-16/h1-9,15,19H,10-14H2,(H,22,25)(H,23,26)
InChIKeyRBBYIRYIPXGTDK-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.65
Rot. Bonds4

About 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide (PubChem CID 154843739) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide
PubChem CID154843739
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(14-19-17-8-4-5-9-18(17)21(26)23-19)22-15-10-12-24(13-11-15)16-6-2-1-3-7-16/h1-9,15,19H,10-14H2,(H,22,25)(H,23,26)
InChIKeyRBBYIRYIPXGTDK-UHFFFAOYSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 136816049
(3R)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7677868
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 110209725

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide (CID 154843739) is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide is O=C(CC1NC(=O)c2ccccc21)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide?
The InChIKey is RBBYIRYIPXGTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(14-19-17-8-4-5-9-18(17)21(26)23-19)22-15-10-12-24(13-11-15)16-6-2-1-3-7-16/h1-9,15,19H,10-14H2,(H,22,25)(H,23,26).
What are the key properties of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide?
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(1-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 154843739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).