1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C17H22BrN3O2 — CID 120600240

IUPAC1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CC(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CCN1
InChIInChI=1S/C17H22BrN3O2/c1-11-7-14(5-6-19-11)20-17(23)12-8-16(22)21(10-12)15-4-2-3-13(18)9-15/h2-4,9,11-12,14,19H,5-8,10H2,1H3,(H,20,23)
InChIKeyBNIGEGHSSLUGBH-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.06
Rot. Bonds3

About 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 120600240) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID120600240
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CC(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CCN1
InChIInChI=1S/C17H22BrN3O2/c1-11-7-14(5-6-19-11)20-17(23)12-8-16(22)21(10-12)15-4-2-3-13(18)9-15/h2-4,9,11-12,14,19H,5-8,10H2,1H3,(H,20,23)
InChIKeyBNIGEGHSSLUGBH-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120599023
1-(3-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119428264
1-methyl-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120600934
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
(3S)-1-(3-bromophenyl)-N'-(4-fluorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 52501833

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 120600240) is 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is CC1CC(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CCN1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BNIGEGHSSLUGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-11-7-14(5-6-19-11)20-17(23)12-8-16(22)21(10-12)15-4-2-3-13(18)9-15/h2-4,9,11-12,14,19H,5-8,10H2,1H3,(H,20,23).
What are the key properties of 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120600240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).