(3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide

C17H21N3O3 — CID 164638098

IUPAC(3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide
SMILESC[C@@H](CC(=O)Nc1cccc2c1C(=O)NC2)N1CCCCC1=O
InChIInChI=1S/C17H21N3O3/c1-11(20-8-3-2-7-15(20)22)9-14(21)19-13-6-4-5-12-10-18-17(23)16(12)13/h4-6,11H,2-3,7-10H2,1H3,(H,18,23)(H,19,21)/t11-/m0/s1
InChIKeyRVOSBPDPDJGTJM-NSHDSACASA-N
MW315.37 g/mol
LogP1.66
Rot. Bonds4

About (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide

(3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide (PubChem CID 164638098) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide
PubChem CID164638098
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide
SMILESC[C@@H](CC(=O)Nc1cccc2c1C(=O)NC2)N1CCCCC1=O
InChIInChI=1S/C17H21N3O3/c1-11(20-8-3-2-7-15(20)22)9-14(21)19-13-6-4-5-12-10-18-17(23)16(12)13/h4-6,11H,2-3,7-10H2,1H3,(H,18,23)(H,19,21)/t11-/m0/s1
InChIKeyRVOSBPDPDJGTJM-NSHDSACASA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide with MolForge

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Related Compounds

(3S)-N-[(2S)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-3-(2-oxopiperidin-1-yl)butanamide
CID 99840830
2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide
CID 95327251
5-(difluoromethyl)-1-methyl-N-(3-oxo-1,2-dihydroisoindol-4-yl)pyrazole-4-carboxamide
CID 75445066
(3R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-3-(2-oxopiperidin-1-yl)butanamide
CID 99792785
2,2-dimethylpropyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 99802681
2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
CID 102564061
2-hydroxy-N-[2-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167899513
N-(3-oxo-1,2-dihydroisoindol-4-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 99578371
N-(3-oxo-1,2-dihydroisoindol-4-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58267428
1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one
CID 82511193
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
(5-methyl-1H-1,2,4-triazol-3-yl)methyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 100667487

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide (CID 164638098) is (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide is C[C@@H](CC(=O)Nc1cccc2c1C(=O)NC2)N1CCCCC1=O.
What is the InChIKey of (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is RVOSBPDPDJGTJM-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(20-8-3-2-7-15(20)22)9-14(21)19-13-6-4-5-12-10-18-17(23)16(12)13/h4-6,11H,2-3,7-10H2,1H3,(H,18,23)(H,19,21)/t11-/m0/s1.
What are the key properties of (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide?
(3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 315.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 164638098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).