[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

C29H29N3O5 — CID 166197791

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)COC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C29H29N3O5/c33-26-17-22(18-32(26)25-12-6-8-20-7-4-5-11-24(20)25)29(36)37-19-27(34)31-15-13-21(14-16-31)28(35)30-23-9-2-1-3-10-23/h1-12,21-22H,13-19H2,(H,30,35)
InChIKeyHXOAGXSOSNAQMU-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.61
Rot. Bonds6

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (PubChem CID 166197791) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
PubChem CID166197791
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)COC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C29H29N3O5/c33-26-17-22(18-32(26)25-12-6-8-20-7-4-5-11-24(20)25)29(36)37-19-27(34)31-15-13-21(14-16-31)28(35)30-23-9-2-1-3-10-23/h1-12,21-22H,13-19H2,(H,30,35)
InChIKeyHXOAGXSOSNAQMU-UHFFFAOYSA-N
XLogP3.61
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 166182466
(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 51866733
[2-(4-ethoxyanilino)-2-oxoethyl] (3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 32509787
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(2-anilino-2-oxoethyl) (3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9170862
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 111694889
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (CID 166197791) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is O=C(Nc1ccccc1)C1CCN(C(=O)COC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)CC1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HXOAGXSOSNAQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c33-26-17-22(18-32(26)25-12-6-8-20-7-4-5-11-24(20)25)29(36)37-19-27(34)31-15-13-21(14-16-31)28(35)30-23-9-2-1-3-10-23/h1-12,21-22H,13-19H2,(H,30,35).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 499.57 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 166197791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).