N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide

C19H27N2O+ — CID 11902322

IUPACN-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1
InChIInChI=1S/C19H26N2O/c22-19(15-9-10-15)20-16-11-17-7-4-8-18(12-16)21(17)13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/p+1/t16?,17-,18+
InChIKeyVPEVDPSHRHUPME-AYHJJNSGSA-O
MW299.44 g/mol
LogP1.68
Rot. Bonds4

About N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide

N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide (PubChem CID 11902322) has the molecular formula C19H27N2O+ and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
PubChem CID11902322
Molecular FormulaC19H27N2O+
Molecular Weight299.44 g/mol
Exact Mass299.21
IUPAC NameN-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1
InChIInChI=1S/C19H26N2O/c22-19(15-9-10-15)20-16-11-17-7-4-8-18(12-16)21(17)13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/p+1/t16?,17-,18+
InChIKeyVPEVDPSHRHUPME-AYHJJNSGSA-O
XLogP1.68
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

3-[(1R,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-1,1-diethylurea
CID 50937696
N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 11861829
1-[(1R,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 50937937
1-benzyl-3-[(1S,5R)-8-[(4-fluorophenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]urea
CID 7399659
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 7402582
1-[(1R,5S)-8-[(4-fluorophenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl]-3-phenylurea
CID 7402606
1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(2,4-difluorophenyl)urea
CID 11902223
9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-one bromide
CID 88541751
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(4-methylphenyl)urea
CID 50937969
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide (CID 11902322) is N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide is O=C(NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1.
What is the InChIKey of N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
The InChIKey is VPEVDPSHRHUPME-AYHJJNSGSA-O. The full InChI is InChI=1S/C19H26N2O/c22-19(15-9-10-15)20-16-11-17-7-4-8-18(12-16)21(17)13-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/p+1/t16?,17-,18+.
What are the key properties of N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide?
N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11902322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).