4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one

C22H33N3O3 — CID 112826883

IUPAC4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)C2CC(=O)N(C(CC)CC)C2)CC1
InChIInChI=1S/C22H33N3O3/c1-4-18(5-2)25-16-17(15-21(25)26)22(27)24-13-11-23(12-14-24)19-9-7-8-10-20(19)28-6-3/h7-10,17-18H,4-6,11-16H2,1-3H3
InChIKeyVNTIVJNQVJVVJL-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.77
Rot. Bonds7

About 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one

4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one (PubChem CID 112826883) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
PubChem CID112826883
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)C2CC(=O)N(C(CC)CC)C2)CC1
InChIInChI=1S/C22H33N3O3/c1-4-18(5-2)25-16-17(15-21(25)26)22(27)24-13-11-23(12-14-24)19-9-7-8-10-20(19)28-6-3/h7-10,17-18H,4-6,11-16H2,1-3H3
InChIKeyVNTIVJNQVJVVJL-UHFFFAOYSA-N
XLogP2.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
(4R)-1-(2-ethoxyphenyl)-4-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254687
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
1-(2-ethoxyphenyl)-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55717950
6-[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137349
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 155493423
4-(4-cyclopentylpiperazine-1-carbonyl)-1-pentan-3-ylpyrrolidin-2-one
CID 112826695
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The IUPAC name of 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one (CID 112826883) is 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one is CCOc1ccccc1N1CCN(C(=O)C2CC(=O)N(C(CC)CC)C2)CC1.
What is the InChIKey of 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
The InChIKey is VNTIVJNQVJVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-4-18(5-2)25-16-17(15-21(25)26)22(27)24-13-11-23(12-14-24)19-9-7-8-10-20(19)28-6-3/h7-10,17-18H,4-6,11-16H2,1-3H3.
What are the key properties of 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one?
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one has a molecular weight of 387.52 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one is sourced from PubChem (CID 112826883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).