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

C17H22BrN3O2 — CID 120575887

IUPAC1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H22BrN3O2/c1-11-15(6-3-8-19-11)20-16(22)14-7-9-21(17(14)23)13-5-2-4-12(18)10-13/h2,4-5,10-11,14-15,19H,3,6-9H2,1H3,(H,20,22)
InChIKeySBTKSNKPKBGVAB-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.06
Rot. Bonds3

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

1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 120575887) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide
PubChem CID120575887
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C17H22BrN3O2/c1-11-15(6-3-8-19-11)20-16(22)14-7-9-21(17(14)23)13-5-2-4-12(18)10-13/h2,4-5,10-11,14-15,19H,3,6-9H2,1H3,(H,20,22)
InChIKeySBTKSNKPKBGVAB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 119501260
1-(3-bromophenyl)-3-(1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 119415517
1-(3-bromophenyl)-N-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 55826690
N-(3-aminopropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119406084
N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119614281
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 55883884
(3R)-1-(3-bromophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidine-3-carboxamide
CID 99812133
N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119640980
(2R)-2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364643
(2R)-1-[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119372061

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide (CID 120575887) is 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide is CC1NCCCC1NC(=O)C1CCN(c2cccc(Br)c2)C1=O.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SBTKSNKPKBGVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-11-15(6-3-8-19-11)20-16(22)14-7-9-21(17(14)23)13-5-2-4-12(18)10-13/h2,4-5,10-11,14-15,19H,3,6-9H2,1H3,(H,20,22).
What are the key properties of 1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-(2-methylpiperidin-3-yl)-2-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-3-yl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120575887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).