1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea

C23H27BrN4O2 — CID 166625265

IUPAC1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCN(C2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C23H27BrN4O2/c24-18-6-8-19(9-7-18)25-23(30)26-21-12-15-28(22(21)29)20-10-13-27(14-11-20)16-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2,(H2,25,26,30)
InChIKeyOLZPOCYBXYWLNE-UHFFFAOYSA-N
MW471.40 g/mol
LogP3.84
Rot. Bonds5

About 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea

1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea (PubChem CID 166625265) has the molecular formula C23H27BrN4O2 and a molecular weight of 471.40 g/mol. Its IUPAC name is 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea.

Molecular Properties

Compound Name1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea
PubChem CID166625265
Molecular FormulaC23H27BrN4O2
Molecular Weight471.40 g/mol
Exact Mass470.13
IUPAC Name1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCN(C2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C23H27BrN4O2/c24-18-6-8-19(9-7-18)25-23(30)26-21-12-15-28(22(21)29)20-10-13-27(14-11-20)16-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2,(H2,25,26,30)
InChIKeyOLZPOCYBXYWLNE-UHFFFAOYSA-N
XLogP3.84
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-N-((S)-1-(4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide
CID 44573131
1-(2-bromophenyl)-3-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
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(S)-4-bromo-N-(1-(1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl)benzamide
CID 56593054
1-(4-Aminobenzyl)-3-{2-[(2r)-2-(2-Bromophenyl)pyrrolidin-1-Yl]-2-Oxoethyl}urea
CID 67255983
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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1-(4-bromophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione
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1-(2-bromophenyl)-3-[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
CID 10292768
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235
cis-(1R,2S)-N-[(2S)-1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 74763829
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
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US10208071, Table 3.3
CID 2622535
8-Phenethyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea?
The IUPAC name of 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea (CID 166625265) is 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea.
What is the SMILES notation for 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea?
The canonical SMILES for 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea is O=C(Nc1ccc(Br)cc1)NC1CCN(C2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea?
The InChIKey is OLZPOCYBXYWLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4O2/c24-18-6-8-19(9-7-18)25-23(30)26-21-12-15-28(22(21)29)20-10-13-27(14-11-20)16-17-4-2-1-3-5-17/h1-9,20-21H,10-16H2,(H2,25,26,30).
What are the key properties of 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea?
1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea has a molecular weight of 471.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-bromophenyl)urea is sourced from PubChem (CID 166625265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).