1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea

C19H33N3O2 — CID 71870013

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC2CCN(C3CC3)CC2)C12CCCC2
InChIInChI=1S/C19H33N3O2/c1-2-24-17-13-16(19(17)9-3-4-10-19)21-18(23)20-14-7-11-22(12-8-14)15-5-6-15/h14-17H,2-13H2,1H3,(H2,20,21,23)
InChIKeyWMXABQMMPGEGLB-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.65
Rot. Bonds5

About 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea

1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea (PubChem CID 71870013) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
PubChem CID71870013
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
SMILESCCOC1CC(NC(=O)NC2CCN(C3CC3)CC2)C12CCCC2
InChIInChI=1S/C19H33N3O2/c1-2-24-17-13-16(19(17)9-3-4-10-19)21-18(23)20-14-7-11-22(12-8-14)15-5-6-15/h14-17H,2-13H2,1H3,(H2,20,21,23)
InChIKeyWMXABQMMPGEGLB-UHFFFAOYSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopropyl-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
CID 71926299
1-[2-[Cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
CID 71985666
1-(3-Ethoxyspiro[3.4]octan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 75376201
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
1-cyclopropyl-N-(3-ethoxyspiro[3.4]octan-1-yl)piperidin-4-amine
CID 64864446
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
1-[4-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone
CID 64864624
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine
CID 64864801
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
1-(1-Cyclopropylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71851015
1-(3-Ethoxyspiro[3.5]nonan-1-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71861170
1-[4-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one
CID 71921286

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea (CID 71870013) is 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea is CCOC1CC(NC(=O)NC2CCN(C3CC3)CC2)C12CCCC2.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea?
The InChIKey is WMXABQMMPGEGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-24-17-13-16(19(17)9-3-4-10-19)21-18(23)20-14-7-11-22(12-8-14)15-5-6-15/h14-17H,2-13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea?
1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea has a molecular weight of 335.49 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-(3-ethoxyspiro[3.4]octan-1-yl)urea is sourced from PubChem (CID 71870013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).