1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C21H31N3O3 — CID 120888949

IUPAC1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC3(COC)CCNCC3)CC2=O)cc1
InChIInChI=1S/C21H31N3O3/c1-3-16-4-6-18(7-5-16)24-13-17(12-19(24)25)20(26)23-14-21(15-27-2)8-10-22-11-9-21/h4-7,17,22H,3,8-15H2,1-2H3,(H,23,26)
InChIKeyBSOPLXVAQCAFBC-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.73
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 120888949) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID120888949
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC3(COC)CCNCC3)CC2=O)cc1
InChIInChI=1S/C21H31N3O3/c1-3-16-4-6-18(7-5-16)24-13-17(12-19(24)25)20(26)23-14-21(15-27-2)8-10-22-11-9-21/h4-7,17,22H,3,8-15H2,1-2H3,(H,23,26)
InChIKeyBSOPLXVAQCAFBC-UHFFFAOYSA-N
XLogP1.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-ethylphenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95787073
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120888824
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 120888456
1-[[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95619416
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-[2-(4-chloroanilino)-2-oxoethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60570940
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 120888949) is 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCC3(COC)CCNCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BSOPLXVAQCAFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-16-4-6-18(7-5-16)24-13-17(12-19(24)25)20(26)23-14-21(15-27-2)8-10-22-11-9-21/h4-7,17,22H,3,8-15H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120888949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).