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

C21H26N4O3 — CID 52735985

IUPAC(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C[C@H](C(=O)N3CCC(c4nc(C)no4)CC3)CC2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-14-3-5-16(6-4-14)12-25-13-18(11-19(25)26)21(27)24-9-7-17(8-10-24)20-22-15(2)23-28-20/h3-6,17-18H,7-13H2,1-2H3/t18-/m1/s1
InChIKeyKUCZSGDWRBBLIB-GOSISDBHSA-N
MW382.46 g/mol
LogP2.44
Rot. Bonds4

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

(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 52735985) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID52735985
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C[C@H](C(=O)N3CCC(c4nc(C)no4)CC3)CC2=O)cc1
InChIInChI=1S/C21H26N4O3/c1-14-3-5-16(6-4-14)12-25-13-18(11-19(25)26)21(27)24-9-7-17(8-10-24)20-22-15(2)23-28-20/h3-6,17-18H,7-13H2,1-2H3/t18-/m1/s1
InChIKeyKUCZSGDWRBBLIB-GOSISDBHSA-N
XLogP2.44
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 52693151
1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one
CID 136578688
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119645946
1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 53003958
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 120816164
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 119379101
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 120816163

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 52735985) is (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2C[C@H](C(=O)N3CCC(c4nc(C)no4)CC3)CC2=O)cc1.
What is the InChIKey of (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is KUCZSGDWRBBLIB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-3-5-16(6-4-14)12-25-13-18(11-19(25)26)21(27)24-9-7-17(8-10-24)20-22-15(2)23-28-20/h3-6,17-18H,7-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 52735985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).