[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate

C22H23N3O5 — CID 47012368

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H23N3O5/c26-19(25-12-10-23-22(25)29)14-30-21(28)16-7-4-11-24(13-16)20(27)18-9-3-6-15-5-1-2-8-17(15)18/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,23,29)
InChIKeyDJHLUETVMDLCRU-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.79
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate (PubChem CID 47012368) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
PubChem CID47012368
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H23N3O5/c26-19(25-12-10-23-22(25)29)14-30-21(28)16-7-4-11-24(13-16)20(27)18-9-3-6-15-5-1-2-8-17(15)18/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,23,29)
InChIKeyDJHLUETVMDLCRU-UHFFFAOYSA-N
XLogP1.79
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 32609032
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 154858593
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate (CID 47012368) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate is O=C(OCC(=O)N1CCNC1=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is DJHLUETVMDLCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c26-19(25-12-10-23-22(25)29)14-30-21(28)16-7-4-11-24(13-16)20(27)18-9-3-6-15-5-1-2-8-17(15)18/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,23,29).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 47012368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).