(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

C16H23N3O — CID 70122183

IUPAC(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESNC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H23N3O/c17-16(20)18-13-9-14-7-4-8-15(10-13)19(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,20)
InChIKeyPXGRGOOHKRBOTM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds3

About (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (PubChem CID 70122183) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.

Molecular Properties

Compound Name(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
PubChem CID70122183
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESNC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H23N3O/c17-16(20)18-13-9-14-7-4-8-15(10-13)19(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,20)
InChIKeyPXGRGOOHKRBOTM-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
CID 3741735
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
1-benzyl-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217267
N-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3,4-dimethoxybenzamide
CID 1461856
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
1-[(1S,5R)-9-[(4-chlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1467219
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
1-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 1460523
1-[(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-methoxyphenyl)urea
CID 98110150
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3-methylphenyl)urea
CID 3217177

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The IUPAC name of (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (CID 70122183) is (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.
What is the SMILES notation for (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The canonical SMILES for (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is NC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The InChIKey is PXGRGOOHKRBOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(20)18-13-9-14-7-4-8-15(10-13)19(14)11-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,20).
What are the key properties of (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea has a molecular weight of 273.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is sourced from PubChem (CID 70122183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).