1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea

C23H37N3O3 — CID 3238070

IUPAC1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCOc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)C)CC2)c(OC)c1
InChIInChI=1S/C23H37N3O3/c1-17(2)25-14-12-19(13-15-25)26(18-8-6-5-7-9-18)23(27)24-21-11-10-20(28-3)16-22(21)29-4/h10-11,16-19H,5-9,12-15H2,1-4H3,(H,24,27)
InChIKeyQXOOEJRUGPLEQA-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.74
Rot. Bonds6

About 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea

1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea (PubChem CID 3238070) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea
PubChem CID3238070
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea
SMILESCOc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)C)CC2)c(OC)c1
InChIInChI=1S/C23H37N3O3/c1-17(2)25-14-12-19(13-15-25)26(18-8-6-5-7-9-18)23(27)24-21-11-10-20(28-3)16-22(21)29-4/h10-11,16-19H,5-9,12-15H2,1-4H3,(H,24,27)
InChIKeyQXOOEJRUGPLEQA-UHFFFAOYSA-N
XLogP4.74
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea (CID 3238070) is 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea is COc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)C)CC2)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea?
The InChIKey is QXOOEJRUGPLEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-17(2)25-14-12-19(13-15-25)26(18-8-6-5-7-9-18)23(27)24-21-11-10-20(28-3)16-22(21)29-4/h10-11,16-19H,5-9,12-15H2,1-4H3,(H,24,27).
What are the key properties of 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea?
1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea has a molecular weight of 403.57 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-dimethoxyphenyl)-1-(1-propan-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 3238070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).