N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide

C20H29N3O2 — CID 3741735

IUPACN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H29N3O2/c24-20(22-9-11-25-12-10-22)21-17-13-18-7-4-8-19(14-17)23(18)15-16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2,(H,21,24)
InChIKeyMDFOWAZNUMAACN-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.61
Rot. Bonds3

About N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide

N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide (PubChem CID 3741735) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
PubChem CID3741735
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide
SMILESO=C(NC1CC2CCCC(C1)N2Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H29N3O2/c24-20(22-9-11-25-12-10-22)21-17-13-18-7-4-8-19(14-17)23(18)15-16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2,(H,21,24)
InChIKeyMDFOWAZNUMAACN-UHFFFAOYSA-N
XLogP2.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
1-benzyl-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217267
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
1-[(1S,5R)-9-[(4-chlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1467219
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid
CID 155094277
1-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 1460523
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3-methylphenyl)urea
CID 3217177

Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide?
The IUPAC name of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide (CID 3741735) is N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide is O=C(NC1CC2CCCC(C1)N2Cc1ccccc1)N1CCOCC1.
What is the InChIKey of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide?
The InChIKey is MDFOWAZNUMAACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(22-9-11-25-12-10-22)21-17-13-18-7-4-8-19(14-17)23(18)15-16-5-2-1-3-6-16/h1-3,5-6,17-19H,4,7-15H2,(H,21,24).
What are the key properties of N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide?
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 3741735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).