3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C14H19N3O — CID 3050914

IUPAC3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCN1CC2CCC(C1)N2C(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O/c1-16-9-12-7-8-13(10-16)17(12)14(18)15-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,18)
InChIKeyHOZGFNSFUHTJRF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds1

About 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 3050914) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID3050914
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCN1CC2CCC(C1)N2C(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O/c1-16-9-12-7-8-13(10-16)17(12)14(18)15-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,18)
InChIKeyHOZGFNSFUHTJRF-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-methylazetidin-3-yl)-3-phenylurea
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4,4-dimethyl-N-phenylpiperidine-1-carboxamide
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5-hydroxy-3-methyl-2-oxo-N-phenylimidazolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 3050914) is 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is CN1CC2CCC(C1)N2C(=O)Nc1ccccc1.
What is the InChIKey of 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is HOZGFNSFUHTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-9-12-7-8-13(10-16)17(12)14(18)15-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 3050914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).