1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea

C28H36N4O2 — CID 54233001

IUPAC1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
SMILESCCCCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4cccc(C(=O)CC)c4)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-3-5-6-14-32-15-12-20(13-16-32)25-19-29-26-11-10-23(18-24(25)26)31-28(34)30-22-9-7-8-21(17-22)27(33)4-2/h7-11,17-20,29H,3-6,12-16H2,1-2H3,(H2,30,31,34)
InChIKeyQKOSTVYFQVZAJT-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.77
Rot. Bonds9

About 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea

1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea (PubChem CID 54233001) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea.

Molecular Properties

Compound Name1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
PubChem CID54233001
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea
SMILESCCCCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4cccc(C(=O)CC)c4)cc23)CC1
InChIInChI=1S/C28H36N4O2/c1-3-5-6-14-32-15-12-20(13-16-32)25-19-29-26-11-10-23(18-24(25)26)31-28(34)30-22-9-7-8-21(17-22)27(33)4-2/h7-11,17-20,29H,3-6,12-16H2,1-2H3,(H2,30,31,34)
InChIKeyQKOSTVYFQVZAJT-UHFFFAOYSA-N
XLogP6.77
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)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

N-[[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]carbamoyl]-N-phenylpropanamide
CID 57299870
1-(3-phenylpropyl)-3-[3-(1-propylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 57267477
1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 142627288
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
1-[3-(1-butan-2-ylpiperidin-4-yl)-1H-indol-5-yl]-3-pent-3-enylurea;1-but-2-enyl-3-[3-(1-butylpiperidin-4-yl)-1H-indol-5-yl]urea
CID 160688315
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
1-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]-3-phenylurea;2-phenylpropanoic acid
CID 67667885
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea?
The IUPAC name of 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea (CID 54233001) is 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea.
What is the SMILES notation for 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea?
The canonical SMILES for 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea is CCCCCN1CCC(c2c[nH]c3ccc(NC(=O)Nc4cccc(C(=O)CC)c4)cc23)CC1.
What is the InChIKey of 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea?
The InChIKey is QKOSTVYFQVZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-3-5-6-14-32-15-12-20(13-16-32)25-19-29-26-11-10-23(18-24(25)26)31-28(34)30-22-9-7-8-21(17-22)27(33)4-2/h7-11,17-20,29H,3-6,12-16H2,1-2H3,(H2,30,31,34).
What are the key properties of 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea?
1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea has a molecular weight of 460.62 g/mol, XLogP of 6.77, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-(3-propanoylphenyl)urea is sourced from PubChem (CID 54233001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).