(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one

C21H28N2O3 — CID 31831854

IUPAC(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1C[C@H](C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)CC1=O
InChIInChI=1S/C21H28N2O3/c1-4-22-13-17(12-19(22)24)21(26)23-9-7-16(8-10-23)20(25)18-6-5-14(2)11-15(18)3/h5-6,11,16-17H,4,7-10,12-13H2,1-3H3/t17-/m1/s1
InChIKeyHMBWUQAKOPYETN-QGZVFWFLSA-N
MW356.47 g/mol
LogP2.59
Rot. Bonds4

About (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one

(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one (PubChem CID 31831854) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
PubChem CID31831854
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
SMILESCCN1C[C@H](C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)CC1=O
InChIInChI=1S/C21H28N2O3/c1-4-22-13-17(12-19(22)24)21(26)23-9-7-16(8-10-23)20(25)18-6-5-14(2)11-15(18)3/h5-6,11,16-17H,4,7-10,12-13H2,1-3H3/t17-/m1/s1
InChIKeyHMBWUQAKOPYETN-QGZVFWFLSA-N
XLogP2.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
CID 32601136
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97141344
(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile
CID 72883184
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17151870
(4S)-4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 95866539

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one (CID 31831854) is (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one is CCN1C[C@H](C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)CC1=O.
What is the InChIKey of (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
The InChIKey is HMBWUQAKOPYETN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-22-13-17(12-19(22)24)21(26)23-9-7-16(8-10-23)20(25)18-6-5-14(2)11-15(18)3/h5-6,11,16-17H,4,7-10,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one?
(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 31831854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).