(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

C21H26N4O3 — CID 97271353

IUPAC(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCc1nc(CC2CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)no1
InChIInChI=1S/C21H26N4O3/c1-15-22-19(23-28-15)11-16-7-9-24(10-8-16)21(27)14-25-13-18(12-20(25)26)17-5-3-2-4-6-17/h2-6,16,18H,7-14H2,1H3/t18-/m1/s1
InChIKeyPENAQNMBUDRCAM-GOSISDBHSA-N
MW382.46 g/mol
LogP2.18
Rot. Bonds5

About (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (PubChem CID 97271353) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
PubChem CID97271353
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCc1nc(CC2CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)no1
InChIInChI=1S/C21H26N4O3/c1-15-22-19(23-28-15)11-16-7-9-24(10-8-16)21(27)14-25-13-18(12-20(25)26)17-5-3-2-4-6-17/h2-6,16,18H,7-14H2,1H3/t18-/m1/s1
InChIKeyPENAQNMBUDRCAM-GOSISDBHSA-N
XLogP2.18
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one 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

1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 91837974
(4R)-1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 124854698
(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281698
2-methyl-8-[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 124851812
2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 91834957
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 91767952
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 91797759
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97278874
1-[2-oxo-2-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-4-phenylpyrrolidin-2-one
CID 45220276
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 46449097
3-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156603139

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (CID 97271353) is (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is Cc1nc(CC2CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)no1.
What is the InChIKey of (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is PENAQNMBUDRCAM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-22-19(23-28-15)11-16-7-9-24(10-8-16)21(27)14-25-13-18(12-20(25)26)17-5-3-2-4-6-17/h2-6,16,18H,7-14H2,1H3/t18-/m1/s1.
What are the key properties of (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 97271353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).