4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one

C20H28N2O3 — CID 166249196

IUPAC4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCOC1CCC(C)N(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C20H28N2O3/c1-14-9-10-18(25-3)13-21(14)20(24)17-11-19(23)22(12-17)15(2)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3
InChIKeyDFYHZDVZNHZPJY-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.62
Rot. Bonds4

About 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one

4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 166249196) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID166249196
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCOC1CCC(C)N(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C20H28N2O3/c1-14-9-10-18(25-3)13-21(14)20(24)17-11-19(23)22(12-17)15(2)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3
InChIKeyDFYHZDVZNHZPJY-UHFFFAOYSA-N
XLogP2.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
methyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564816
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119434412
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
(3,5-dimethylphenyl) (3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 9057026
ethyl 3-oxo-3-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanoate
CID 10357607
2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 108875809
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 119634812
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 8602818
(4-methoxycarbonylphenyl) (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 8572101
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one (CID 166249196) is 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one is COC1CCC(C)N(C(=O)C2CC(=O)N(C(C)c3ccccc3)C2)C1.
What is the InChIKey of 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is DFYHZDVZNHZPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-9-10-18(25-3)13-21(14)20(24)17-11-19(23)22(12-17)15(2)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3.
What are the key properties of 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one?
4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 166249196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).