1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

C18H25BrClN3O2 — CID 119562198

IUPAC1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNC1CCN(C(=O)C2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1.Cl
InChIInChI=1S/C18H24BrN3O2.ClH/c1-12-9-15(3-4-16(12)19)22-11-13(10-17(22)23)18(24)21-7-5-14(20-2)6-8-21;/h3-4,9,13-14,20H,5-8,10-11H2,1-2H3;1H
InChIKeyRDECAGWVIPHPDN-UHFFFAOYSA-N
MW430.77 g/mol
LogP2.74
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride

1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (PubChem CID 119562198) has the molecular formula C18H25BrClN3O2 and a molecular weight of 430.77 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
PubChem CID119562198
Molecular FormulaC18H25BrClN3O2
Molecular Weight430.77 g/mol
Exact Mass429.08
IUPAC Name1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
SMILESCNC1CCN(C(=O)C2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1.Cl
InChIInChI=1S/C18H24BrN3O2.ClH/c1-12-9-15(3-4-16(12)19)22-11-13(10-17(22)23)18(24)21-7-5-14(20-2)6-8-21;/h3-4,9,13-14,20H,5-8,10-11H2,1-2H3;1H
InChIKeyRDECAGWVIPHPDN-UHFFFAOYSA-N
XLogP2.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
(4S)-1-(4-bromo-3-methylphenyl)-4-[(3S)-3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 124612979
1-(4-bromo-3-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190401
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
1-(3,5-dichlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119564050
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
1-(9H-fluoren-2-yl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562298
4-(azepane-1-carbonyl)-1-(3-bromo-4-methylphenyl)pyrrolidin-2-one
CID 113188098
N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666215
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(4-bromo-3-methylphenyl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 113190392

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride (CID 119562198) is 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is CNC1CCN(C(=O)C2CC(=O)N(c3ccc(Br)c(C)c3)C2)CC1.Cl.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is RDECAGWVIPHPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2.ClH/c1-12-9-15(3-4-16(12)19)22-11-13(10-17(22)23)18(24)21-7-5-14(20-2)6-8-21;/h3-4,9,13-14,20H,5-8,10-11H2,1-2H3;1H.
What are the key properties of 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride?
1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 430.77 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119562198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).