1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea

C21H24BrN3O2 — CID 11418989

IUPAC1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C21H24BrN3O2/c22-17-9-11-18(12-10-17)23-21(27)24-19(15-16-7-3-1-4-8-16)20(26)25-13-5-2-6-14-25/h1,3-4,7-12,19H,2,5-6,13-15H2,(H2,23,24,27)/t19-/m0/s1
InChIKeyTZFMJFDRVVAJHI-IBGZPJMESA-N
MW430.35 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea

1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea (PubChem CID 11418989) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
PubChem CID11418989
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C21H24BrN3O2/c22-17-9-11-18(12-10-17)23-21(27)24-19(15-16-7-3-1-4-8-16)20(26)25-13-5-2-6-14-25/h1,3-4,7-12,19H,2,5-6,13-15H2,(H2,23,24,27)/t19-/m0/s1
InChIKeyTZFMJFDRVVAJHI-IBGZPJMESA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
(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
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
CID 3905761
US10208071, Table 3.3
CID 2622535
1-[1-(4-Acetyl-piperazine-1-carbonyl)-cyclohexyl]-3-p-tolyl-urea
CID 6487857
1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
CID 11851013
N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5-ylmethyl)-3-phenyl-propionamide
CID 18706425
2-[[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamoylamino]-N,N-dimethyl-acetamide
CID 44448825
(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methyl-N-(2-oxopropyl)pentanamide
CID 71526011
(2S)-N-(2-amino-2-oxoethyl)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methylpentanamide
CID 71526098

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea (CID 11418989) is 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea is O=C(Nc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
The InChIKey is TZFMJFDRVVAJHI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-17-9-11-18(12-10-17)23-21(27)24-19(15-16-7-3-1-4-8-16)20(26)25-13-5-2-6-14-25/h1,3-4,7-12,19H,2,5-6,13-15H2,(H2,23,24,27)/t19-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea has a molecular weight of 430.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 11418989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).