1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C24H31N3O3 — CID 112819886

IUPAC1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1=O
InChIInChI=1S/C24H31N3O3/c1-3-18-7-4-5-9-22(18)27-16-19(15-23(27)28)24(29)26(17-21-8-6-14-30-21)20-10-12-25(2)13-11-20/h4-9,14,19-20H,3,10-13,15-17H2,1-2H3
InChIKeyFGEKQMCWVIPCRR-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.32
Rot. Bonds6

About 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 112819886) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID112819886
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1=O
InChIInChI=1S/C24H31N3O3/c1-3-18-7-4-5-9-22(18)27-16-19(15-23(27)28)24(29)26(17-21-8-6-14-30-21)20-10-12-25(2)13-11-20/h4-9,14,19-20H,3,10-13,15-17H2,1-2H3
InChIKeyFGEKQMCWVIPCRR-UHFFFAOYSA-N
XLogP3.32
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136578968
(3R)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767497
(3S)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767495
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
(3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-ethylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 25440303
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198514
(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 94006173
1-(2-ethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120521

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 112819886) is 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FGEKQMCWVIPCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-18-7-4-5-9-22(18)27-16-19(15-23(27)28)24(29)26(17-21-8-6-14-30-21)20-10-12-25(2)13-11-20/h4-9,14,19-20H,3,10-13,15-17H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112819886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).