1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C20H30ClN3O2 — CID 119544467

IUPAC1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(N2CC(C(=O)N3CCC(CNC)CC3)CC2=O)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-15-4-6-18(7-5-15)23-14-17(12-19(23)24)20(25)22-10-8-16(9-11-22)13-21-2;/h4-7,16-17,21H,3,8-14H2,1-2H3;1H
InChIKeyXNBFAJSHWOBKGD-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.48
Rot. Bonds5

About 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119544467) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID119544467
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCCc1ccc(N2CC(C(=O)N3CCC(CNC)CC3)CC2=O)cc1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-3-15-4-6-18(7-5-15)23-14-17(12-19(23)24)20(25)22-10-8-16(9-11-22)13-21-2;/h4-7,16-17,21H,3,8-14H2,1-2H3;1H
InChIKeyXNBFAJSHWOBKGD-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[4-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 119545577
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119540758
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 119623843
1-(4-ethylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995208
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119648461

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 119544467) is 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is CCc1ccc(N2CC(C(=O)N3CCC(CNC)CC3)CC2=O)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is XNBFAJSHWOBKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-3-15-4-6-18(7-5-15)23-14-17(12-19(23)24)20(25)22-10-8-16(9-11-22)13-21-2;/h4-7,16-17,21H,3,8-14H2,1-2H3;1H.
What are the key properties of 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119544467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).