4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one

C21H29N3O4 — CID 110346269

IUPAC4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)CC1=O
InChIInChI=1S/C21H29N3O4/c1-3-8-24-14-17(13-19(24)25)21(27)23-11-9-22(10-12-23)20(26)15-28-18-6-4-16(2)5-7-18/h4-7,17H,3,8-15H2,1-2H3
InChIKeyXNZMWUSAKLLZEE-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.30
Rot. Bonds6

About 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one

4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one (PubChem CID 110346269) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
PubChem CID110346269
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)CC1=O
InChIInChI=1S/C21H29N3O4/c1-3-8-24-14-17(13-19(24)25)21(27)23-11-9-22(10-12-23)20(26)15-28-18-6-4-16(2)5-7-18/h4-7,17H,3,8-15H2,1-2H3
InChIKeyXNZMWUSAKLLZEE-UHFFFAOYSA-N
XLogP1.30
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346317
4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346284
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 110798942
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346248
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 82042053
4-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108546365
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The IUPAC name of 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one (CID 110346269) is 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one is CCCN1CC(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)CC1=O.
What is the InChIKey of 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
The InChIKey is XNZMWUSAKLLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-3-8-24-14-17(13-19(24)25)21(27)23-11-9-22(10-12-23)20(26)15-28-18-6-4-16(2)5-7-18/h4-7,17H,3,8-15H2,1-2H3.
What are the key properties of 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one?
4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 110346269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).