1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea

C18H29N3O2 — CID 56783186

IUPAC1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
SMILESCCN(Cc1ccoc1)C(=O)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-21(13-16-8-12-23-14-16)18(22)19-17-6-10-20(11-7-17)9-5-15(2)3/h5,8,12,14,17H,4,6-7,9-11,13H2,1-3H3,(H,19,22)
InChIKeySYRKIZYWKOTNTR-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.24
Rot. Bonds6

About 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea

1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea (PubChem CID 56783186) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
PubChem CID56783186
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
SMILESCCN(Cc1ccoc1)C(=O)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-21(13-16-8-12-23-14-16)18(22)19-17-6-10-20(11-7-17)9-5-15(2)3/h5,8,12,14,17H,4,6-7,9-11,13H2,1-3H3,(H,19,22)
InChIKeySYRKIZYWKOTNTR-UHFFFAOYSA-N
XLogP3.24
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
The IUPAC name of 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea (CID 56783186) is 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
The canonical SMILES for 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea is CCN(Cc1ccoc1)C(=O)NC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
The InChIKey is SYRKIZYWKOTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-21(13-16-8-12-23-14-16)18(22)19-17-6-10-20(11-7-17)9-5-15(2)3/h5,8,12,14,17H,4,6-7,9-11,13H2,1-3H3,(H,19,22).
What are the key properties of 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea?
1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea has a molecular weight of 319.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(furan-3-ylmethyl)-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea is sourced from PubChem (CID 56783186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).