1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea

C14H19N3O — CID 130899357

IUPAC1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NC1C2CNCC1C2
InChIInChI=1S/C14H19N3O/c18-14(16-7-10-4-2-1-3-5-10)17-13-11-6-12(13)9-15-8-11/h1-5,11-13,15H,6-9H2,(H2,16,17,18)
InChIKeyUAUSVZFQPZPBHZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.09
Rot. Bonds3

About 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea

1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea (PubChem CID 130899357) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea
PubChem CID130899357
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NC1C2CNCC1C2
InChIInChI=1S/C14H19N3O/c18-14(16-7-10-4-2-1-3-5-10)17-13-11-6-12(13)9-15-8-11/h1-5,11-13,15H,6-9H2,(H2,16,17,18)
InChIKeyUAUSVZFQPZPBHZ-UHFFFAOYSA-N
XLogP1.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-3-ylmethyl)-3-benzylurea
CID 117235420
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
1-benzyl-3-[(3S,4R)-4-hydroxypiperidin-3-yl]urea;formic acid
CID 154905170
1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235385
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
1-[(4-fluorophenyl)methyl]-3-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 111434470
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951
1-benzyl-3-spiro[2.4]heptan-2-ylurea
CID 131137817
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea?
The IUPAC name of 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea (CID 130899357) is 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea.
What is the SMILES notation for 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea?
The canonical SMILES for 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea is O=C(NCc1ccccc1)NC1C2CNCC1C2.
What is the InChIKey of 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea?
The InChIKey is UAUSVZFQPZPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(16-7-10-4-2-1-3-5-10)17-13-11-6-12(13)9-15-8-11/h1-5,11-13,15H,6-9H2,(H2,16,17,18).
What are the key properties of 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea?
1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea has a molecular weight of 245.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea is sourced from PubChem (CID 130899357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).