3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide

C16H23N3O — CID 81491276

IUPAC3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
SMILESO=C(CCN1CCC2CCC(C1)N2)Nc1ccccc1
InChIInChI=1S/C16H23N3O/c20-16(18-13-4-2-1-3-5-13)9-11-19-10-8-14-6-7-15(12-19)17-14/h1-5,14-15,17H,6-12H2,(H,18,20)
InChIKeyOITOLMSLRKUNLT-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.84
Rot. Bonds4

About 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide

3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide (PubChem CID 81491276) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
PubChem CID81491276
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
SMILESO=C(CCN1CCC2CCC(C1)N2)Nc1ccccc1
InChIInChI=1S/C16H23N3O/c20-16(18-13-4-2-1-3-5-13)9-11-19-10-8-14-6-7-15(12-19)17-14/h1-5,14-15,17H,6-12H2,(H,18,20)
InChIKeyOITOLMSLRKUNLT-UHFFFAOYSA-N
XLogP1.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(3-fluorophenyl)propanamide;hydrochloride
CID 119927376
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81491367
3-[(3R)-3-(methanesulfonamido)piperidin-1-yl]-N-phenylpropanamide
CID 95159240
(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
CID 25471392

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide?
The IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide (CID 81491276) is 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide is O=C(CCN1CCC2CCC(C1)N2)Nc1ccccc1.
What is the InChIKey of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide?
The InChIKey is OITOLMSLRKUNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(18-13-4-2-1-3-5-13)9-11-19-10-8-14-6-7-15(12-19)17-14/h1-5,14-15,17H,6-12H2,(H,18,20).
What are the key properties of 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide?
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide has a molecular weight of 273.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 81491276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).