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

C16H23N3O — CID 107653993

IUPAC1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NC1CCNC2(CCC2)C1
InChIInChI=1S/C16H23N3O/c20-15(17-12-13-5-2-1-3-6-13)19-14-7-10-18-16(11-14)8-4-9-16/h1-3,5-6,14,18H,4,7-12H2,(H2,17,19,20)
InChIKeyNNFOFYDJTAZFCG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.16
Rot. Bonds3

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

1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea (PubChem CID 107653993) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea.

Molecular Properties

Compound Name1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea
PubChem CID107653993
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NC1CCNC2(CCC2)C1
InChIInChI=1S/C16H23N3O/c20-15(17-12-13-5-2-1-3-6-13)19-14-7-10-18-16(11-14)8-4-9-16/h1-3,5-6,14,18H,4,7-12H2,(H2,17,19,20)
InChIKeyNNFOFYDJTAZFCG-UHFFFAOYSA-N
XLogP2.16
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-(5-azaspiro[3.5]nonan-8-yl)carbamate
CID 43596737
N-(5-azaspiro[3.5]nonan-8-yl)-2-(2-methoxyphenyl)acetamide
CID 43595335
N-(5-azaspiro[3.5]nonan-8-yl)-2,6-difluorobenzamide
CID 43595348
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-chlorophenyl)urea
CID 43596745
1-(5-azaspiro[3.5]nonan-8-yl)-3-(2,4-difluorophenyl)urea
CID 43596735
1-benzyl-3-spiro[2.4]heptan-2-ylurea
CID 131137817
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
N-(5-azaspiro[3.5]nonan-8-yl)-3,5-difluorobenzamide
CID 43595353
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
1-benzyl-3-(2,2-diethyloxan-4-yl)urea
CID 103867854
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741

Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea?
The IUPAC name of 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea (CID 107653993) is 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea.
What is the SMILES notation for 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea?
The canonical SMILES for 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea is O=C(NCc1ccccc1)NC1CCNC2(CCC2)C1.
What is the InChIKey of 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea?
The InChIKey is NNFOFYDJTAZFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-15(17-12-13-5-2-1-3-6-13)19-14-7-10-18-16(11-14)8-4-9-16/h1-3,5-6,14,18H,4,7-12H2,(H2,17,19,20).
What are the key properties of 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea?
1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea has a molecular weight of 273.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[3.5]nonan-8-yl)-3-benzylurea is sourced from PubChem (CID 107653993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).