[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

C23H26N2O4 — CID 166182466

IUPAC[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCCC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C23H26N2O4/c26-21-14-18(23(28)29-16-22(27)24-12-5-1-2-6-13-24)15-25(21)20-11-7-9-17-8-3-4-10-19(17)20/h3-4,7-11,18H,1-2,5-6,12-16H2
InChIKeyQWPDZUAHTKETTH-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.14
Rot. Bonds4

About [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (PubChem CID 166182466) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
PubChem CID166182466
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCCC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C23H26N2O4/c26-21-14-18(23(28)29-16-22(27)24-12-5-1-2-6-13-24)15-25(21)20-11-7-9-17-8-3-4-10-19(17)20/h3-4,7-11,18H,1-2,5-6,12-16H2
InChIKeyQWPDZUAHTKETTH-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 166197791
[2-(azocan-1-yl)-2-oxoethyl] (3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8588902
(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 9057249
[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 32509787
(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 97310896
4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 111694889
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 51866733
ethyl (3S)-5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077638
1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46516740
4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 166202662
[2-(naphthalen-1-ylamino)-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7263881

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (CID 166182466) is [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is O=C(OCC(=O)N1CCCCCC1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is QWPDZUAHTKETTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-21-14-18(23(28)29-16-22(27)24-12-5-1-2-6-13-24)15-25(21)20-11-7-9-17-8-3-4-10-19(17)20/h3-4,7-11,18H,1-2,5-6,12-16H2.
What are the key properties of [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 166182466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).