1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one

C20H28N2O4 — CID 113185434

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(OCCN2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-15-4-3-9-22(13-15)20(24)16-12-19(23)21(14-16)10-11-26-18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyMRNBEYBTYKVHQH-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one

1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113185434) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID113185434
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(OCCN2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-15-4-3-9-22(13-15)20(24)16-12-19(23)21(14-16)10-11-26-18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyMRNBEYBTYKVHQH-UHFFFAOYSA-N
XLogP2.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 113185711
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 46957846
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113185431
(4S)-4-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95737049
(4S)-1-(2-methoxyethyl)-4-[(3S)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95178640
N-(2-ethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185450
N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 113185434) is 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is COc1ccc(OCCN2CC(C(=O)N3CCCC(C)C3)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is MRNBEYBTYKVHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-4-3-9-22(13-15)20(24)16-12-19(23)21(14-16)10-11-26-18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 360.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113185434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).