ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate

C24H28N4O5 — CID 167747837

IUPACethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)C1
InChIInChI=1S/C24H28N4O5/c1-3-33-23(32)25-19-9-6-12-27(14-19)20(29)15-28-21(30)24(2,26-22(28)31)18-11-10-16-7-4-5-8-17(16)13-18/h4-5,7-8,10-11,13,19H,3,6,9,12,14-15H2,1-2H3,(H,25,32)(H,26,31)
InChIKeyOOFRWKDWSFBLOY-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.34
Rot. Bonds5

About ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate (PubChem CID 167747837) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate
PubChem CID167747837
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Nameethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)C1
InChIInChI=1S/C24H28N4O5/c1-3-33-23(32)25-19-9-6-12-27(14-19)20(29)15-28-21(30)24(2,26-22(28)31)18-11-10-16-7-4-5-8-17(16)13-18/h4-5,7-8,10-11,13,19H,3,6,9,12,14-15H2,1-2H3,(H,25,32)(H,26,31)
InChIKeyOOFRWKDWSFBLOY-UHFFFAOYSA-N
XLogP2.34
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41367932
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
ethyl N-[1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidin-3-yl]carbamate
CID 55748074
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154860165
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55342804
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 52501154
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154834533
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate (CID 167747837) is ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)C1.
What is the InChIKey of ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate?
The InChIKey is OOFRWKDWSFBLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-3-33-23(32)25-19-9-6-12-27(14-19)20(29)15-28-21(30)24(2,26-22(28)31)18-11-10-16-7-4-5-8-17(16)13-18/h4-5,7-8,10-11,13,19H,3,6,9,12,14-15H2,1-2H3,(H,25,32)(H,26,31).
What are the key properties of ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate has a molecular weight of 452.51 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 167747837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).