3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C20H27N3O2 — CID 24792578

IUPAC3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccc(NC(=O)N2C3CCCC2CC(NC(=O)C2CC2)C3)cc1
InChIInChI=1S/C20H27N3O2/c1-13-5-9-15(10-6-13)22-20(25)23-17-3-2-4-18(23)12-16(11-17)21-19(24)14-7-8-14/h5-6,9-10,14,16-18H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyAZTJREUEGYWVNN-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.44
Rot. Bonds3

About 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 24792578) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID24792578
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccc(NC(=O)N2C3CCCC2CC(NC(=O)C2CC2)C3)cc1
InChIInChI=1S/C20H27N3O2/c1-13-5-9-15(10-6-13)22-20(25)23-17-3-2-4-18(23)12-16(11-17)21-19(24)14-7-8-14/h5-6,9-10,14,16-18H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyAZTJREUEGYWVNN-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
N,N'-(4-Methyl-1,3-phenylene)bis(1-piperidinecarboxamide)
CID 341869
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 45889074
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49780161
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 24792578) is 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is Cc1ccc(NC(=O)N2C3CCCC2CC(NC(=O)C2CC2)C3)cc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is AZTJREUEGYWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-5-9-15(10-6-13)22-20(25)23-17-3-2-4-18(23)12-16(11-17)21-19(24)14-7-8-14/h5-6,9-10,14,16-18H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 24792578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).