1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea

C23H28N4O2 — CID 12608478

IUPAC1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-29-20-8-6-18(7-9-20)25-23(28)26-19-11-14-27(15-12-19)13-10-17-16-24-22-5-3-2-4-21(17)22/h2-9,16,19,24H,10-15H2,1H3,(H2,25,26,28)
InChIKeyAPQLMUZVCXNJNO-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.01
Rot. Bonds6

About 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea

1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea (PubChem CID 12608478) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
PubChem CID12608478
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-29-20-8-6-18(7-9-20)25-23(28)26-19-11-14-27(15-12-19)13-10-17-16-24-22-5-3-2-4-21(17)22/h2-9,16,19,24H,10-15H2,1H3,(H2,25,26,28)
InChIKeyAPQLMUZVCXNJNO-UHFFFAOYSA-N
XLogP4.01
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)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-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea (CID 12608478) is 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is APQLMUZVCXNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-20-8-6-18(7-9-20)25-23(28)26-19-11-14-27(15-12-19)13-10-17-16-24-22-5-3-2-4-21(17)22/h2-9,16,19,24H,10-15H2,1H3,(H2,25,26,28).
What are the key properties of 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 392.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 12608478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).