1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea

C20H31N5O2 — CID 138994204

IUPAC1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)C2CCc3[nH]ncc3C2)CC1
InChIInChI=1S/C20H31N5O2/c26-19(14-6-7-18-15(12-14)13-21-24-18)25-10-8-17(9-11-25)23-20(27)22-16-4-2-1-3-5-16/h13-14,16-17H,1-12H2,(H,21,24)(H2,22,23,27)
InChIKeyAFYKYQYOFOFNAQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.14
Rot. Bonds3

About 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea (PubChem CID 138994204) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea
PubChem CID138994204
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)C2CCc3[nH]ncc3C2)CC1
InChIInChI=1S/C20H31N5O2/c26-19(14-6-7-18-15(12-14)13-21-24-18)25-10-8-17(9-11-25)23-20(27)22-16-4-2-1-3-5-16/h13-14,16-17H,1-12H2,(H,21,24)(H2,22,23,27)
InChIKeyAFYKYQYOFOFNAQ-UHFFFAOYSA-N
XLogP2.14
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]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-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea (CID 138994204) is 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(C(=O)C2CCc3[nH]ncc3C2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea?
The InChIKey is AFYKYQYOFOFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19(14-6-7-18-15(12-14)13-21-24-18)25-10-8-17(9-11-25)23-20(27)22-16-4-2-1-3-5-16/h13-14,16-17H,1-12H2,(H,21,24)(H2,22,23,27).
What are the key properties of 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea has a molecular weight of 373.50 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4,5,6,7-tetrahydro-1H-indazole-5-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 138994204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).