1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C18H25BrClN3O2 — CID 119395463

IUPAC1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3Br)C2)C1.Cl
InChIInChI=1S/C18H24BrN3O2.ClH/c1-20-10-13-5-4-8-21(11-13)18(24)14-9-17(23)22(12-14)16-7-3-2-6-15(16)19;/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3;1H
InChIKeySORWCANYXUGMRT-UHFFFAOYSA-N
MW430.77 g/mol
LogP2.68
Rot. Bonds4

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

1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119395463) has the molecular formula C18H25BrClN3O2 and a molecular weight of 430.77 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID119395463
Molecular FormulaC18H25BrClN3O2
Molecular Weight430.77 g/mol
Exact Mass429.08
IUPAC Name1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3Br)C2)C1.Cl
InChIInChI=1S/C18H24BrN3O2.ClH/c1-20-10-13-5-4-8-21(11-13)18(24)14-9-17(23)22(12-14)16-7-3-2-6-15(16)19;/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3;1H
InChIKeySORWCANYXUGMRT-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-(2-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851699
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 129369520
1-(2,4-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540176
(4S)-1-(4-bromo-3-methylphenyl)-4-[(3S)-3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 124612979
ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 56532644
(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 100712614

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 119395463) is 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is CNCC1CCCN(C(=O)C2CC(=O)N(c3ccccc3Br)C2)C1.Cl.
What is the InChIKey of 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is SORWCANYXUGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2.ClH/c1-20-10-13-5-4-8-21(11-13)18(24)14-9-17(23)22(12-14)16-7-3-2-6-15(16)19;/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3;1H.
What are the key properties of 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 430.77 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119395463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).