3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C19H24FN3O2 — CID 3218278

IUPAC3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2C(=O)Nc1cccc(F)c1)C1CC1
InChIInChI=1S/C19H24FN3O2/c20-13-3-1-4-14(9-13)22-19(25)23-16-5-2-6-17(23)11-15(10-16)21-18(24)12-7-8-12/h1,3-4,9,12,15-17H,2,5-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyXZUYVOPYORKUDE-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.27
Rot. Bonds3

About 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 3218278) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID3218278
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2C(=O)Nc1cccc(F)c1)C1CC1
InChIInChI=1S/C19H24FN3O2/c20-13-3-1-4-14(9-13)22-19(25)23-16-5-2-6-17(23)11-15(10-16)21-18(24)12-7-8-12/h1,3-4,9,12,15-17H,2,5-8,10-11H2,(H,21,24)(H,22,25)
InChIKeyXZUYVOPYORKUDE-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 45889074
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510
US10377744, Syn34
CID 118395981
1-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]urea
CID 118409099
1-[1-(Cyclopropanecarbonyl)piperidin-4-yl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]urea
CID 118409175
3-(Cyclopropanecarbonyl-amino)-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid p-tolylamide
CID 24792578
3-(2,2-Dimethyl-propionylamino)-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid phenylamide
CID 3218237
3-(Cyclopropanecarbonyl-amino)-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid (2-fluoro-phenyl)-amide
CID 3218273
N-(4-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
CID 2893926

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 3218278) is 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is O=C(NC1CC2CCCC(C1)N2C(=O)Nc1cccc(F)c1)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is XZUYVOPYORKUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-13-3-1-4-14(9-13)22-19(25)23-16-5-2-6-17(23)11-15(10-16)21-18(24)12-7-8-12/h1,3-4,9,12,15-17H,2,5-8,10-11H2,(H,21,24)(H,22,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 3218278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).