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

C19H30ClN3O3 — CID 120904513

IUPAC1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)CC3(C)CCNC3)C2=O)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/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;1H
InChIKeyVZTMCEKFUCCTMH-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.16
Rot. Bonds6

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

1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride (PubChem CID 120904513) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride
PubChem CID120904513
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride
SMILESCOc1cc(OC)cc(N2CCC(N(C)CC3(C)CCNC3)C2=O)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/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;1H
InChIKeyVZTMCEKFUCCTMH-UHFFFAOYSA-N
XLogP2.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
CID 120904514
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119815344
(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 119341756
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]pyrrolidin-2-one
CID 124608907
6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 120905588
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637992
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
CID 124508156
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
3-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120904511

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride (CID 120904513) is 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride is COc1cc(OC)cc(N2CCC(N(C)CC3(C)CCNC3)C2=O)c1.Cl.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride?
The InChIKey is VZTMCEKFUCCTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/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;1H.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride?
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 120904513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).