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

C25H31ClN4O — CID 44533300

IUPAC1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
SMILESO=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C25H31ClN4O/c26-20-7-6-8-21(17-20)29-25(31)27-13-4-1-5-14-30-15-11-19(12-16-30)23-18-28-24-10-3-2-9-22(23)24/h2-3,6-10,17-19,28H,1,4-5,11-16H2,(H2,27,29,31)
InChIKeyXYUQBMMQTBGAIN-UHFFFAOYSA-N
MW439.00 g/mol
LogP5.99
Rot. Bonds8

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

1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea (PubChem CID 44533300) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
PubChem CID44533300
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC Name1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
SMILESO=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C25H31ClN4O/c26-20-7-6-8-21(17-20)29-25(31)27-13-4-1-5-14-30-15-11-19(12-16-30)23-18-28-24-10-3-2-9-22(23)24/h2-3,6-10,17-19,28H,1,4-5,11-16H2,(H2,27,29,31)
InChIKeyXYUQBMMQTBGAIN-UHFFFAOYSA-N
XLogP5.99
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea (CID 44533300) is 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea is O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
The InChIKey is XYUQBMMQTBGAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O/c26-20-7-6-8-21(17-20)29-25(31)27-13-4-1-5-14-30-15-11-19(12-16-30)23-18-28-24-10-3-2-9-22(23)24/h2-3,6-10,17-19,28H,1,4-5,11-16H2,(H2,27,29,31).
What are the key properties of 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea?
1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea has a molecular weight of 439.00 g/mol, XLogP of 5.99, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea is sourced from PubChem (CID 44533300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).