4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide

C20H28N4O3 — CID 125438861

IUPAC4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
SMILESCCN1C[C@H](NC(=O)N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)CC1=O
InChIInChI=1S/C20H28N4O3/c1-4-22-12-17(10-18(22)25)21-20(27)24-6-5-23(19(26)13-24)11-16-8-14(2)7-15(3)9-16/h7-9,17H,4-6,10-13H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyNQFOUCCZFOXEPP-QGZVFWFLSA-N
MW372.47 g/mol
LogP1.28
Rot. Bonds4

About 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide

4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide (PubChem CID 125438861) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
PubChem CID125438861
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
SMILESCCN1C[C@H](NC(=O)N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)CC1=O
InChIInChI=1S/C20H28N4O3/c1-4-22-12-17(10-18(22)25)21-20(27)24-6-5-23(19(26)13-24)11-16-8-14(2)7-15(3)9-16/h7-9,17H,4-6,10-13H2,1-3H3,(H,21,27)/t17-/m1/s1
InChIKeyNQFOUCCZFOXEPP-QGZVFWFLSA-N
XLogP1.28
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylphenyl)methyl]-N-(1-ethyl-5-oxopyrrolidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 122560678
4-[(3,5-dimethylphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-oxopiperazine-1-carboxamide
CID 122563755
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124059
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 70715796
1-[(3,5-dimethylphenyl)methyl]-4-(1-methylpyrazole-3-carbonyl)piperazin-2-one
CID 70788477
ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
CID 108876410
N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122556418
N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108876723
1-[(3,5-dimethylphenyl)methyl]-4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 70767260
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)piperidine-1-carboxamide
CID 122564760

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide (CID 125438861) is 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide is CCN1C[C@H](NC(=O)N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)CC1=O.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide?
The InChIKey is NQFOUCCZFOXEPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-22-12-17(10-18(22)25)21-20(27)24-6-5-23(19(26)13-24)11-16-8-14(2)7-15(3)9-16/h7-9,17H,4-6,10-13H2,1-3H3,(H,21,27)/t17-/m1/s1.
What are the key properties of 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide?
4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125438861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).