1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

C24H37N3O3 — CID 86943213

IUPAC1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)NCc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C24H37N3O3/c1-18(2)15-23(28)27-13-11-20(12-14-27)26-24(29)25-17-19-7-6-10-22(16-19)30-21-8-4-3-5-9-21/h6-7,10,16,18,20-21H,3-5,8-9,11-15,17H2,1-2H3,(H2,25,26,29)
InChIKeyICIYIWFMHFBQTQ-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.23
Rot. Bonds7

About 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (PubChem CID 86943213) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
PubChem CID86943213
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)NCc2cccc(OC3CCCCC3)c2)CC1
InChIInChI=1S/C24H37N3O3/c1-18(2)15-23(28)27-13-11-20(12-14-27)26-24(29)25-17-19-7-6-10-22(16-19)30-21-8-4-3-5-9-21/h6-7,10,16,18,20-21H,3-5,8-9,11-15,17H2,1-2H3,(H2,25,26,29)
InChIKeyICIYIWFMHFBQTQ-UHFFFAOYSA-N
XLogP4.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
CID 86943396
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
1-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-3-cyclobutylurea
CID 125437513
1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
CID 122559038
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
1-[(3-cyclohexyloxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990119
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
CID 86943146

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (CID 86943213) is 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is CC(C)CC(=O)N1CCC(NC(=O)NCc2cccc(OC3CCCCC3)c2)CC1.
What is the InChIKey of 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The InChIKey is ICIYIWFMHFBQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-18(2)15-23(28)27-13-11-20(12-14-27)26-24(29)25-17-19-7-6-10-22(16-19)30-21-8-4-3-5-9-21/h6-7,10,16,18,20-21H,3-5,8-9,11-15,17H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea has a molecular weight of 415.58 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 86943213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).