1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one

C18H24N2O3 — CID 6494501

IUPAC1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-2-23-16-8-6-15(7-9-16)20-13-14(12-17(20)21)18(22)19-10-4-3-5-11-19/h6-9,14H,2-5,10-13H2,1H3
InChIKeyOUGIGHRHEXIVIA-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.45
Rot. Bonds4

About 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one

1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6494501) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID6494501
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCCCC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-2-23-16-8-6-15(7-9-16)20-13-14(12-17(20)21)18(22)19-10-4-3-5-11-19/h6-9,14H,2-5,10-13H2,1H3
InChIKeyOUGIGHRHEXIVIA-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9440802
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 42881962
1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24533480
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
ethyl 2-[4-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 29127383
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
ethyl (3S)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 1241715
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 121059780
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one (CID 6494501) is 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one is CCOc1ccc(N2CC(C(=O)N3CCCCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OUGIGHRHEXIVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-16-8-6-15(7-9-16)20-13-14(12-17(20)21)18(22)19-10-4-3-5-11-19/h6-9,14H,2-5,10-13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one?
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6494501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).