1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

C23H28BrN3O3 — CID 25132744

IUPAC1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCc1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C23H28BrN3O3/c1-15(2)25-22(29)26-20-14-17(5-4-16(20)3)21(28)27-12-10-23(30,11-13-27)18-6-8-19(24)9-7-18/h4-9,14-15,30H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyFERDZKQVDUVAGV-UHFFFAOYSA-N
MW474.40 g/mol
LogP4.41
Rot. Bonds4

About 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea

1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (PubChem CID 25132744) has the molecular formula C23H28BrN3O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
PubChem CID25132744
Molecular FormulaC23H28BrN3O3
Molecular Weight474.40 g/mol
Exact Mass473.13
IUPAC Name1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
SMILESCc1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1NC(=O)NC(C)C
InChIInChI=1S/C23H28BrN3O3/c1-15(2)25-22(29)26-20-14-17(5-4-16(20)3)21(28)27-12-10-23(30,11-13-27)18-6-8-19(24)9-7-18/h4-9,14-15,30H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyFERDZKQVDUVAGV-UHFFFAOYSA-N
XLogP4.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-(4-cyanophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 25133415
N-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-1-phenylmethanesulfonamide
CID 68943973
1-[5-[4-(3-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68953307
1-[5-[4-(3-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68954757
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68849773
[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-(2,6-dipyridin-2-yl-4-pyridinyl)methanone
CID 171673557
6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
CID 167530654
4-bromo-N-[5-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]benzamide
CID 166353844
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
1-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3-phenylurea
CID 119418250

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea (CID 25132744) is 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is Cc1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1NC(=O)NC(C)C.
What is the InChIKey of 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
The InChIKey is FERDZKQVDUVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O3/c1-15(2)25-22(29)26-20-14-17(5-4-16(20)3)21(28)27-12-10-23(30,11-13-27)18-6-8-19(24)9-7-18/h4-9,14-15,30H,10-13H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea?
1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea has a molecular weight of 474.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 25132744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).