[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea

C15H22BrN3O — CID 71918180

IUPAC[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea
SMILESCCC(c1ccc(Br)cc1)N1CCC(NC(N)=O)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-14(11-3-5-12(16)6-4-11)19-9-7-13(8-10-19)18-15(17)20/h3-6,13-14H,2,7-10H2,1H3,(H3,17,18,20)
InChIKeyNVOMIIRGLVQVNE-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.03
Rot. Bonds4

About [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea

[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea (PubChem CID 71918180) has the molecular formula C15H22BrN3O and a molecular weight of 340.26 g/mol. Its IUPAC name is [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea
PubChem CID71918180
Molecular FormulaC15H22BrN3O
Molecular Weight340.26 g/mol
Exact Mass339.09
IUPAC Name[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea
SMILESCCC(c1ccc(Br)cc1)N1CCC(NC(N)=O)CC1
InChIInChI=1S/C15H22BrN3O/c1-2-14(11-3-5-12(16)6-4-11)19-9-7-13(8-10-19)18-15(17)20/h3-6,13-14H,2,7-10H2,1H3,(H3,17,18,20)
InChIKeyNVOMIIRGLVQVNE-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]oxyacetic acid
CID 65065763
[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
CID 75386168
tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate
CID 166926233
[4-[1-(4-bromophenyl)propyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119877855
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61421143
methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238847
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27232899
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide
CID 91050343
4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
2-[4-[1-(4-bromophenyl)propyl]piperazin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134525
[1-[1-(2,6-difluorophenyl)ethyl]piperidin-4-yl]urea
CID 71976361

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea?
The IUPAC name of [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea (CID 71918180) is [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea is CCC(c1ccc(Br)cc1)N1CCC(NC(N)=O)CC1.
What is the InChIKey of [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea?
The InChIKey is NVOMIIRGLVQVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-14(11-3-5-12(16)6-4-11)19-9-7-13(8-10-19)18-15(17)20/h3-6,13-14H,2,7-10H2,1H3,(H3,17,18,20).
What are the key properties of [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea?
[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea has a molecular weight of 340.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea is sourced from PubChem (CID 71918180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).