1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea

C19H35N3O2 — CID 118712048

IUPAC1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
SMILESCCC1CCC(NC(=O)NC2CCN(C(=O)C(C)CC)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-4-14(3)18(23)22-12-10-17(11-13-22)21-19(24)20-16-8-6-15(5-2)7-9-16/h14-17H,4-13H2,1-3H3,(H2,20,21,24)
InChIKeyHSYJKFPFMKFCBR-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea

1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea (PubChem CID 118712048) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
PubChem CID118712048
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
SMILESCCC1CCC(NC(=O)NC2CCN(C(=O)C(C)CC)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-4-14(3)18(23)22-12-10-17(11-13-22)21-19(24)20-16-8-6-15(5-2)7-9-16/h14-17H,4-13H2,1-3H3,(H2,20,21,24)
InChIKeyHSYJKFPFMKFCBR-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)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-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea (CID 118712048) is 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea is CCC1CCC(NC(=O)NC2CCN(C(=O)C(C)CC)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
The InChIKey is HSYJKFPFMKFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-4-14(3)18(23)22-12-10-17(11-13-22)21-19(24)20-16-8-6-15(5-2)7-9-16/h14-17H,4-13H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea?
1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea has a molecular weight of 337.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 118712048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).