(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C27H30N4O3 — CID 92898912

IUPAC(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1C
InChIInChI=1S/C27H30N4O3/c1-18-8-9-23(14-19(18)2)31-17-22(16-25(31)32)27(33)30-12-10-20(11-13-30)15-24-28-26(29-34-24)21-6-4-3-5-7-21/h3-9,14,20,22H,10-13,15-17H2,1-2H3/t22-/m1/s1
InChIKeyBQJZCDRAUWIJKX-JOCHJYFZSA-N
MW458.56 g/mol
LogP4.19
Rot. Bonds5

About (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92898912) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92898912
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1C
InChIInChI=1S/C27H30N4O3/c1-18-8-9-23(14-19(18)2)31-17-22(16-25(31)32)27(33)30-12-10-20(11-13-30)15-24-28-26(29-34-24)21-6-4-3-5-7-21/h3-9,14,20,22H,10-13,15-17H2,1-2H3/t22-/m1/s1
InChIKeyBQJZCDRAUWIJKX-JOCHJYFZSA-N
XLogP4.19
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 90641553
1-(3,4-dimethylphenyl)-4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 134477632
1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90642251
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116486
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 119105504
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
1-(3,4-dimethylphenyl)-4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90516679
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
1-(3,4-dimethylphenyl)-4-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 121150835
4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121092639

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 92898912) is (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nc(-c5ccccc5)no4)CC3)CC2=O)cc1C.
What is the InChIKey of (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BQJZCDRAUWIJKX-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-18-8-9-23(14-19(18)2)31-17-22(16-25(31)32)27(33)30-12-10-20(11-13-30)15-24-28-26(29-34-24)21-6-4-3-5-7-21/h3-9,14,20,22H,10-13,15-17H2,1-2H3/t22-/m1/s1.
What are the key properties of (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,4-dimethylphenyl)-4-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92898912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).