methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate

C19H24N2O4 — CID 47074517

IUPACmethyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H24N2O4/c1-25-18(23)12-16-9-5-6-10-20(16)19(24)14-11-17(22)21(13-14)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyDPUFAUUFYQNUGI-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.98
Rot. Bonds4

About methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate (PubChem CID 47074517) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
PubChem CID47074517
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H24N2O4/c1-25-18(23)12-16-9-5-6-10-20(16)19(24)14-11-17(22)21(13-14)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyDPUFAUUFYQNUGI-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92596147
4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 60604921
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
4-(2-ethylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188642
3-[4-(2-ethylpiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 113191916
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513252
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate (CID 47074517) is methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate?
The InChIKey is DPUFAUUFYQNUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-18(23)12-16-9-5-6-10-20(16)19(24)14-11-17(22)21(13-14)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3.
What are the key properties of methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate has a molecular weight of 344.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 47074517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).