1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea

C22H30N4O2 — CID 44611611

IUPAC1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea
SMILESCOc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
InChIInChI=1S/C22H30N4O2/c1-28-21-10-4-3-9-19(21)20-12-11-18(17-24-20)25-22(27)23-13-5-8-16-26-14-6-2-7-15-26/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H2,23,25,27)
InChIKeyHCBWAWNFHVHMOV-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.14
Rot. Bonds8

About 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea

1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea (PubChem CID 44611611) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea
PubChem CID44611611
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea
SMILESCOc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
InChIInChI=1S/C22H30N4O2/c1-28-21-10-4-3-9-19(21)20-12-11-18(17-24-20)25-22(27)23-13-5-8-16-26-14-6-2-7-15-26/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H2,23,25,27)
InChIKeyHCBWAWNFHVHMOV-UHFFFAOYSA-N
XLogP4.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)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-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea?
The IUPAC name of 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea (CID 44611611) is 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea?
The canonical SMILES for 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea is COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea?
The InChIKey is HCBWAWNFHVHMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-28-21-10-4-3-9-19(21)20-12-11-18(17-24-20)25-22(27)23-13-5-8-16-26-14-6-2-7-15-26/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H2,23,25,27).
What are the key properties of 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea?
1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea has a molecular weight of 382.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)-3-pyridinyl]-3-(4-piperidin-1-ylbutyl)urea is sourced from PubChem (CID 44611611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).