methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate

C16H17N3O4 — CID 162634981

IUPACmethyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc2ccccn12
InChIInChI=1S/C16H17N3O4/c1-23-14(20)10-13-15(21)17-7-9-19(13)16(22)12-6-5-11-4-2-3-8-18(11)12/h2-6,8,13H,7,9-10H2,1H3,(H,17,21)
InChIKeyAUFRNZSYVUDHGP-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.44
Rot. Bonds3

About methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate

methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 162634981) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
PubChem CID162634981
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc2ccccn12
InChIInChI=1S/C16H17N3O4/c1-23-14(20)10-13-15(21)17-7-9-19(13)16(22)12-6-5-11-4-2-3-8-18(11)12/h2-6,8,13H,7,9-10H2,1H3,(H,17,21)
InChIKeyAUFRNZSYVUDHGP-UHFFFAOYSA-N
XLogP0.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
methyl 2-[(2R)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 95192507
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
methyl 2-[(2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 29158977
methyl 2-[1-(5-chloropyridine-2-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 56873399
methyl 2-[3-oxo-1-(3-phenylprop-2-enoylcarbamothioyl)piperazin-2-yl]acetate
CID 4927019
methyl 2-[(2S)-3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 7393662
methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005060
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
methyl 2-[(2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazole-4-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 92641138
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate (CID 162634981) is methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)c1ccc2ccccn12.
What is the InChIKey of methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is AUFRNZSYVUDHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-23-14(20)10-13-15(21)17-7-9-19(13)16(22)12-6-5-11-4-2-3-8-18(11)12/h2-6,8,13H,7,9-10H2,1H3,(H,17,21).
What are the key properties of methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 315.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 162634981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).