1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C21H24BrN5O4 — CID 90602043

IUPAC1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)n1
InChIInChI=1S/C21H24BrN5O4/c1-13-24-18(31-25-13)11-23-20(29)14-5-7-26(8-6-14)21(30)15-9-19(28)27(12-15)17-4-2-3-16(22)10-17/h2-4,10,14-15H,5-9,11-12H2,1H3,(H,23,29)
InChIKeyYJLBBDHPSUQMJH-UHFFFAOYSA-N
MW490.36 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 90602043) has the molecular formula C21H24BrN5O4 and a molecular weight of 490.36 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID90602043
Molecular FormulaC21H24BrN5O4
Molecular Weight490.36 g/mol
Exact Mass489.10
IUPAC Name1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)n1
InChIInChI=1S/C21H24BrN5O4/c1-13-24-18(31-25-13)11-23-20(29)14-5-7-26(8-6-14)21(30)15-9-19(28)27(12-15)17-4-2-3-16(22)10-17/h2-4,10,14-15H,5-9,11-12H2,1H3,(H,23,29)
InChIKeyYJLBBDHPSUQMJH-UHFFFAOYSA-N
XLogP2.05
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602078
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
1-(5-bromopyridine-3-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602204
1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602032
1-[2-(3-methoxyphenyl)acetyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602129
1-(3-bromophenyl)-4-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122351764
1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780411
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-bromophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42952883
N-(4-bromo-2-methylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118645
1-(3-bromophenyl)-4-(1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl)pyrrolidin-2-one
CID 121191811
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 90602043) is 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)n1.
What is the InChIKey of 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YJLBBDHPSUQMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O4/c1-13-24-18(31-25-13)11-23-20(29)14-5-7-26(8-6-14)21(30)15-9-19(28)27(12-15)17-4-2-3-16(22)10-17/h2-4,10,14-15H,5-9,11-12H2,1H3,(H,23,29).
What are the key properties of 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 490.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90602043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).