1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide

C22H23N3O3 — CID 124647529

IUPAC1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C22H23N3O3/c23-20(26)16-10-12-24(13-11-16)22(28)19(15-6-2-1-3-7-15)25-14-17-8-4-5-9-18(17)21(25)27/h1-9,16,19H,10-14H2,(H2,23,26)/t19-/m1/s1
InChIKeyBJJXETAGPQLVBH-LJQANCHMSA-N
MW377.44 g/mol
LogP2.11
Rot. Bonds4

About 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide

1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide (PubChem CID 124647529) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide
PubChem CID124647529
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C22H23N3O3/c23-20(26)16-10-12-24(13-11-16)22(28)19(15-6-2-1-3-7-15)25-14-17-8-4-5-9-18(17)21(25)27/h1-9,16,19H,10-14H2,(H2,23,26)/t19-/m1/s1
InChIKeyBJJXETAGPQLVBH-LJQANCHMSA-N
XLogP2.11
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 20862743
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-3H-isoindol-1-one
CID 155486491
ethyl 1-[(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 20862779
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
CID 161202330
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 25206564
2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one
CID 20905674
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide (CID 124647529) is 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1.
What is the InChIKey of 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide?
The InChIKey is BJJXETAGPQLVBH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O3/c23-20(26)16-10-12-24(13-11-16)22(28)19(15-6-2-1-3-7-15)25-14-17-8-4-5-9-18(17)21(25)27/h1-9,16,19H,10-14H2,(H2,23,26)/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide?
1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 124647529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).