ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate

C19H23N3O5 — CID 10904816

IUPACethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](O)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H23N3O5/c1-2-27-19(26)22-9-5-8-17(24)16(22)10-13(23)11-21-12-20-15-7-4-3-6-14(15)18(21)25/h3-4,6-7,12,16-17,24H,2,5,8-11H2,1H3/t16-,17+/m1/s1
InChIKeyWNVGKKGULMLVCO-SJORKVTESA-N
MW373.41 g/mol
LogP1.34
Rot. Bonds5

About ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate

ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate (PubChem CID 10904816) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate
PubChem CID10904816
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](O)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C19H23N3O5/c1-2-27-19(26)22-9-5-8-17(24)16(22)10-13(23)11-21-12-20-15-7-4-3-6-14(15)18(21)25/h3-4,6-7,12,16-17,24H,2,5,8-11H2,1H3/t16-,17+/m1/s1
InChIKeyWNVGKKGULMLVCO-SJORKVTESA-N
XLogP1.34
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-hydroxypiperidine-1-carboxylate
CID 177256978
tert-butyl (2S,3S)-3-(methoxymethoxy)-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate
CID 25067607
3-[3-[(2S)-1-benzoyl-3-methoxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 10025077
3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 11208839
tert-butyl 2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-hydroxypiperidine-1-carboxylate
CID 58482384
tert-butyl 2-[3-[6-chloro-4-oxo-7-(2-trimethylsilylethynyl)quinazolin-3-yl]-2-oxopropyl]-3-hydroxypiperidine-1-carboxylate
CID 58482409
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
(2S,3R)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-hydroxypiperidine-1-carboxylic acid
CID 58482420
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
prop-2-enyl (2R,3S)-2-[3-[6-[(4-bromophenyl)methylsulfanyl]-7-chloro-4-oxoquinazolin-3-yl]-2-oxopropyl]-3-hydroxypiperidine-1-carboxylate
CID 22839294
prop-2-enyl 2-[3-[6-[(4-bromophenyl)methylsulfanyl]-7-chloro-4-oxoquinazolin-3-yl]-2-oxopropyl]-3-hydroxypiperidine-1-carboxylate
CID 19856599
methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate
CID 14233670

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate?
The IUPAC name of ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate (CID 10904816) is ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate is CCOC(=O)N1CCC[C@H](O)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate?
The InChIKey is WNVGKKGULMLVCO-SJORKVTESA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-27-19(26)22-9-5-8-17(24)16(22)10-13(23)11-21-12-20-15-7-4-3-6-14(15)18(21)25/h3-4,6-7,12,16-17,24H,2,5,8-11H2,1H3/t16-,17+/m1/s1.
What are the key properties of ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate?
ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-hydroxy-2-[2-oxo-3-(4-oxoquinazolin-3-yl)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 10904816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).