1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea

C23H33N3O2 — CID 126786259

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H33N3O2/c1-17(22-16-18-8-6-7-11-21(18)28-22)25(2)23(27)24-19-12-14-26(15-13-19)20-9-4-3-5-10-20/h6-8,11,16-17,19-20H,3-5,9-10,12-15H2,1-2H3,(H,24,27)
InChIKeySZPNCLITCCLBQW-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.93
Rot. Bonds4

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea

1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea (PubChem CID 126786259) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
PubChem CID126786259
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H33N3O2/c1-17(22-16-18-8-6-7-11-21(18)28-22)25(2)23(27)24-19-12-14-26(15-13-19)20-9-4-3-5-10-20/h6-8,11,16-17,19-20H,3-5,9-10,12-15H2,1-2H3,(H,24,27)
InChIKeySZPNCLITCCLBQW-UHFFFAOYSA-N
XLogP4.93
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea with MolForge

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 51933116
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 111113418
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52989043
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124733045
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 42951445
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea (CID 126786259) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea is CC(c1cc2ccccc2o1)N(C)C(=O)NC1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea?
The InChIKey is SZPNCLITCCLBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17(22-16-18-8-6-7-11-21(18)28-22)25(2)23(27)24-19-12-14-26(15-13-19)20-9-4-3-5-10-20/h6-8,11,16-17,19-20H,3-5,9-10,12-15H2,1-2H3,(H,24,27).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea has a molecular weight of 383.54 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea is sourced from PubChem (CID 126786259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).