[4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

C19H25NO3 — CID 171948895

IUPAC[4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1ccc(C3OCCO3)cc1)C2
InChIInChI=1S/C19H25NO3/c1-20-16-3-2-4-17(20)12-15(11-16)18(21)13-5-7-14(8-6-13)19-22-9-10-23-19/h5-8,15-17,19H,2-4,9-12H2,1H3
InChIKeyMUEBAWYWPXXQRG-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.18
Rot. Bonds3

About [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

[4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171948895) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171948895
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1ccc(C3OCCO3)cc1)C2
InChIInChI=1S/C19H25NO3/c1-20-16-3-2-4-17(20)12-15(11-16)18(21)13-5-7-14(8-6-13)19-22-9-10-23-19/h5-8,15-17,19H,2-4,9-12H2,1H3
InChIKeyMUEBAWYWPXXQRG-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

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Related Compounds

cyclopentyl-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726750
[4-(difluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171947669
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-methylquinolin-6-yl)methanone
CID 171948645
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone
CID 171939135
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
[3,5-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939633
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171941188
5-fluoro-2-(9-methyl-9-azabicyclo[3.3.1]nonane-3-carbonyl)benzonitrile
CID 171946619
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077
[4-(difluoromethoxy)phenyl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171940416

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171948895) is [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is CN1C2CCCC1CC(C(=O)c1ccc(C3OCCO3)cc1)C2.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is MUEBAWYWPXXQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-20-16-3-2-4-17(20)12-15(11-16)18(21)13-5-7-14(8-6-13)19-22-9-10-23-19/h5-8,15-17,19H,2-4,9-12H2,1H3.
What are the key properties of [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
[4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 315.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171948895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).