methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate

C19H24N2O4 — CID 125139186

IUPACmethyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1C(=O)Cc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)16-8-2-3-10-21(16)18(23)13-14-6-4-7-15(12-14)20-11-5-9-17(20)22/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3/t16-/m0/s1
InChIKeyIMDMNENDTRUIQB-INIZCTEOSA-N
MW344.41 g/mol
LogP1.91
Rot. Bonds4

About methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate

methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate (PubChem CID 125139186) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate
PubChem CID125139186
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1C(=O)Cc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)16-8-2-3-10-21(16)18(23)13-14-6-4-7-15(12-14)20-11-5-9-17(20)22/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3/t16-/m0/s1
InChIKeyIMDMNENDTRUIQB-INIZCTEOSA-N
XLogP1.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115535987
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
N-(1-methoxypiperidin-4-yl)-N-methyl-2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 126454821
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
methyl 1-[3-(3-aminophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 80704732
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate (CID 125139186) is methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate is COC(=O)[C@@H]1CCCCN1C(=O)Cc1cccc(N2CCCC2=O)c1.
What is the InChIKey of methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate?
The InChIKey is IMDMNENDTRUIQB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-19(24)16-8-2-3-10-21(16)18(23)13-14-6-4-7-15(12-14)20-11-5-9-17(20)22/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3/t16-/m0/s1.
What are the key properties of methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate?
methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 125139186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).