methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate

C21H28N2O5 — CID 72864584

IUPACmethyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1cc(OC)cc(C(=O)N2CCCCC2CCN2CCCC2=O)c1
InChIInChI=1S/C21H28N2O5/c1-27-18-13-15(12-16(14-18)21(26)28-2)20(25)23-10-4-3-6-17(23)8-11-22-9-5-7-19(22)24/h12-14,17H,3-11H2,1-2H3
InChIKeyOWOZIHCQCZXRIF-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.49
Rot. Bonds6

About methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate

methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate (PubChem CID 72864584) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate
PubChem CID72864584
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Namemethyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1cc(OC)cc(C(=O)N2CCCCC2CCN2CCCC2=O)c1
InChIInChI=1S/C21H28N2O5/c1-27-18-13-15(12-16(14-18)21(26)28-2)20(25)23-10-4-3-6-17(23)8-11-22-9-5-7-19(22)24/h12-14,17H,3-11H2,1-2H3
InChIKeyOWOZIHCQCZXRIF-UHFFFAOYSA-N
XLogP2.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(3-chloro-4-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70751833
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 131923446
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
1-[2-[(2S)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97041667
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70758694
methyl 3-methoxy-5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)benzoate
CID 162637455
(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95714212

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate (CID 72864584) is methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate is COC(=O)c1cc(OC)cc(C(=O)N2CCCCC2CCN2CCCC2=O)c1.
What is the InChIKey of methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate?
The InChIKey is OWOZIHCQCZXRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-27-18-13-15(12-16(14-18)21(26)28-2)20(25)23-10-4-3-6-17(23)8-11-22-9-5-7-19(22)24/h12-14,17H,3-11H2,1-2H3.
What are the key properties of methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate?
methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate has a molecular weight of 388.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 72864584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).