1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea

C16H23N3O2 — CID 61322127

IUPAC1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCNC3(CCC3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-21-14-5-2-4-12(10-14)18-15(20)19-13-6-9-17-16(11-13)7-3-8-16/h2,4-5,10,13,17H,3,6-9,11H2,1H3,(H2,18,19,20)
InChIKeyLVZGZYJXBOUDNS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds3

About 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea

1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea (PubChem CID 61322127) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea
PubChem CID61322127
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCNC3(CCC3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-21-14-5-2-4-12(10-14)18-15(20)19-13-6-9-17-16(11-13)7-3-8-16/h2,4-5,10,13,17H,3,6-9,11H2,1H3,(H2,18,19,20)
InChIKeyLVZGZYJXBOUDNS-UHFFFAOYSA-N
XLogP2.49
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-chlorophenyl)urea
CID 43596745
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-(3-methoxyphenyl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91161259
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
1-(3-methoxyphenyl)-3-[(1R,5R)-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461728
1-[(1S,5S)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(3-methoxyphenyl)urea
CID 98109689
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
CID 3432292

Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea (CID 61322127) is 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC2CCNC3(CCC3)C2)c1.
What is the InChIKey of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is LVZGZYJXBOUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-14-5-2-4-12(10-14)18-15(20)19-13-6-9-17-16(11-13)7-3-8-16/h2,4-5,10,13,17H,3,6-9,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea?
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 289.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 61322127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).