1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one

C19H29N3O3 — CID 120904514

IUPAC1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
SMILESCOc1cc(OC)cc(N2CCC(N(C)CC3(C)CCNC3)C2=O)c1
InChIInChI=1S/C19H29N3O3/c1-19(6-7-20-12-19)13-21(2)17-5-8-22(18(17)23)14-9-15(24-3)11-16(10-14)25-4/h9-11,17,20H,5-8,12-13H2,1-4H3
InChIKeyFZQVZSPDRAEWQZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.74
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one

1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one (PubChem CID 120904514) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
PubChem CID120904514
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
SMILESCOc1cc(OC)cc(N2CCC(N(C)CC3(C)CCNC3)C2=O)c1
InChIInChI=1S/C19H29N3O3/c1-19(6-7-20-12-19)13-21(2)17-5-8-22(18(17)23)14-9-15(24-3)11-16(10-14)25-4/h9-11,17,20H,5-8,12-13H2,1-4H3
InChIKeyFZQVZSPDRAEWQZ-UHFFFAOYSA-N
XLogP1.74
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one (CID 120904514) is 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one is COc1cc(OC)cc(N2CCC(N(C)CC3(C)CCNC3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one?
The InChIKey is FZQVZSPDRAEWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(6-7-20-12-19)13-21(2)17-5-8-22(18(17)23)14-9-15(24-3)11-16(10-14)25-4/h9-11,17,20H,5-8,12-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one?
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 120904514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).