4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride

C20H30ClN3O2 — CID 119540758

IUPAC4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCCCc1ccc(N2CC(C(=O)N3CCC(CNC)C3)CC2=O)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-4-15-5-7-18(8-6-15)23-14-17(11-19(23)24)20(25)22-10-9-16(13-22)12-21-2;/h5-8,16-17,21H,3-4,9-14H2,1-2H3;1H
InChIKeyCXQBKWYPEMVWAW-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.48
Rot. Bonds6

About 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride

4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119540758) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119540758
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCCCc1ccc(N2CC(C(=O)N3CCC(CNC)C3)CC2=O)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-4-15-5-7-18(8-6-15)23-14-17(11-19(23)24)20(25)22-10-9-16(13-22)12-21-2;/h5-8,16-17,21H,3-4,9-14H2,1-2H3;1H
InChIKeyCXQBKWYPEMVWAW-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 119623843
4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 119545577
1-(3,5-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119541329
(4S)-1-(4-bromo-3-methylphenyl)-4-[(3S)-3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 124612979
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-(9H-fluoren-2-yl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540813
1-(2,4-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540176
4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
CID 119416770
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride (CID 119540758) is 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride is CCCc1ccc(N2CC(C(=O)N3CCC(CNC)C3)CC2=O)cc1.Cl.
What is the InChIKey of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is CXQBKWYPEMVWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-3-4-15-5-7-18(8-6-15)23-14-17(11-19(23)24)20(25)22-10-9-16(13-22)12-21-2;/h5-8,16-17,21H,3-4,9-14H2,1-2H3;1H.
What are the key properties of 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119540758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).