1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one

C19H28N2O3 — CID 71933259

IUPAC1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCOCCOc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c22-19-7-4-10-21(19)17-8-11-20(12-9-17)13-14-23-15-16-24-18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2
InChIKeyZHUIGLKZTCGUTO-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.17
Rot. Bonds8

About 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 71933259) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID71933259
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCOCCOc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c22-19-7-4-10-21(19)17-8-11-20(12-9-17)13-14-23-15-16-24-18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2
InChIKeyZHUIGLKZTCGUTO-UHFFFAOYSA-N
XLogP2.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 57448274
1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
CID 86782293
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
2-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]benzoic acid
CID 56876211
1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
CID 166183602
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
1-cyclopentyl-3-[2-(2-phenoxyethoxy)ethyl]imidazolidine-2,4,5-trione
CID 47045320
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one (CID 71933259) is 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(CCOCCOc2ccccc2)CC1.
What is the InChIKey of 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is ZHUIGLKZTCGUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19-7-4-10-21(19)17-8-11-20(12-9-17)13-14-23-15-16-24-18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2.
What are the key properties of 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 332.44 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 71933259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).