1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea

C20H27N3O3 — CID 118787138

IUPAC1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea
SMILESCN1CCC(OCCCNC(=O)Nc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C20H27N3O3/c1-23-11-8-18(9-12-23)25-14-4-10-21-20(24)22-17-6-2-5-16(15-17)19-7-3-13-26-19/h2-3,5-7,13,15,18H,4,8-12,14H2,1H3,(H2,21,22,24)
InChIKeyGDGJCPXFUISDKQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.57
Rot. Bonds7

About 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea

1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea (PubChem CID 118787138) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea.

Molecular Properties

Compound Name1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea
PubChem CID118787138
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea
SMILESCN1CCC(OCCCNC(=O)Nc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C20H27N3O3/c1-23-11-8-18(9-12-23)25-14-4-10-21-20(24)22-17-6-2-5-16(15-17)19-7-3-13-26-19/h2-3,5-7,13,15,18H,4,8-12,14H2,1H3,(H2,21,22,24)
InChIKeyGDGJCPXFUISDKQ-UHFFFAOYSA-N
XLogP3.57
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea?
The IUPAC name of 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea (CID 118787138) is 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea.
What is the SMILES notation for 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea?
The canonical SMILES for 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea is CN1CCC(OCCCNC(=O)Nc2cccc(-c3ccco3)c2)CC1.
What is the InChIKey of 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea?
The InChIKey is GDGJCPXFUISDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-23-11-8-18(9-12-23)25-14-4-10-21-20(24)22-17-6-2-5-16(15-17)19-7-3-13-26-19/h2-3,5-7,13,15,18H,4,8-12,14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea?
1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea has a molecular weight of 357.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)phenyl]-3-[3-(1-methylpiperidin-4-yl)oxypropyl]urea is sourced from PubChem (CID 118787138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).