1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea

C25H31BrN4O — CID 44533230

IUPAC1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
SMILESO=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C25H31BrN4O/c26-20-8-10-21(11-9-20)29-25(31)27-14-4-1-5-15-30-16-12-19(13-17-30)23-18-28-24-7-3-2-6-22(23)24/h2-3,6-11,18-19,28H,1,4-5,12-17H2,(H2,27,29,31)
InChIKeyNNTFALWLWHXONS-UHFFFAOYSA-N
MW483.45 g/mol
LogP6.10
Rot. Bonds8

About 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea

1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea (PubChem CID 44533230) has the molecular formula C25H31BrN4O and a molecular weight of 483.45 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
PubChem CID44533230
Molecular FormulaC25H31BrN4O
Molecular Weight483.45 g/mol
Exact Mass482.17
IUPAC Name1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
SMILESO=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C25H31BrN4O/c26-20-8-10-21(11-9-20)29-25(31)27-14-4-1-5-15-30-16-12-19(13-17-30)23-18-28-24-7-3-2-6-22(23)24/h2-3,6-11,18-19,28H,1,4-5,12-17H2,(H2,27,29,31)
InChIKeyNNTFALWLWHXONS-UHFFFAOYSA-N
XLogP6.10
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]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

5-Bromotryptamine
CID 77158
Meridianin C
CID 10017019
Aplicyanin A
CID 16718383
Aplicyanin B
CID 16718384
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
3-(4-Phenyl-piperidin-1-ylmethyl)-1H-indole
CID 10851078
1-[4-(1H-indol-3-yl)piperidino]ethan-1-one
CID 2728359
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10451707
1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(1H-indol-5-yl)urea
CID 11328714
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(5-bromo-1H-indol-3-yl)-acetamide
CID 11539744
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(1H-indol-3-yl)-propionamide
CID 11625278
1-(4-Fluorophenyl)-3-[1-[2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
CID 11742071

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea (CID 44533230) is 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea is O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
The InChIKey is NNTFALWLWHXONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrN4O/c26-20-8-10-21(11-9-20)29-25(31)27-14-4-1-5-15-30-16-12-19(13-17-30)23-18-28-24-7-3-2-6-22(23)24/h2-3,6-11,18-19,28H,1,4-5,12-17H2,(H2,27,29,31).
What are the key properties of 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea has a molecular weight of 483.45 g/mol, XLogP of 6.10, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea is sourced from PubChem (CID 44533230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).