(4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C23H27N5O4 — CID 146743255

IUPAC(4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2nc(N3CC4(COC4)C3)no2)CC1
InChIInChI=1S/C23H27N5O4/c29-19-10-17(11-28(19)18-4-2-1-3-5-18)21(30)26-8-6-16(7-9-26)20-24-22(25-32-20)27-12-23(13-27)14-31-15-23/h1-5,16-17H,6-15H2/t17-/m0/s1
InChIKeyRLMQUORQQPYRQU-KRWDZBQOSA-N
MW437.50 g/mol
LogP1.67
Rot. Bonds4

About (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

(4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 146743255) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID146743255
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name(4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2nc(N3CC4(COC4)C3)no2)CC1
InChIInChI=1S/C23H27N5O4/c29-19-10-17(11-28(19)18-4-2-1-3-5-18)21(30)26-8-6-16(7-9-26)20-24-22(25-32-20)27-12-23(13-27)14-31-15-23/h1-5,16-17H,6-15H2/t17-/m0/s1
InChIKeyRLMQUORQQPYRQU-KRWDZBQOSA-N
XLogP1.67
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-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

(4R)-4-[4-[3-(1,3-dimethyl-2,3-dihydroindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 153382530
(4R)-4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92896461
1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one
CID 121098567
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92746806
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 134477632
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92896437
4-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 121096653
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737
N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 146743255) is (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(c2nc(N3CC4(COC4)C3)no2)CC1.
What is the InChIKey of (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is RLMQUORQQPYRQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O4/c29-19-10-17(11-28(19)18-4-2-1-3-5-18)21(30)26-8-6-16(7-9-26)20-24-22(25-32-20)27-12-23(13-27)14-31-15-23/h1-5,16-17H,6-15H2/t17-/m0/s1.
What are the key properties of (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 437.50 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 146743255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).