benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate

C16H22N2O2 — CID 130993442

IUPACbenzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate
SMILESO=C(NC1CCN2CCCC1C2)OCc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)17-15-8-10-18-9-4-7-14(15)11-18/h1-3,5-6,14-15H,4,7-12H2,(H,17,19)
InChIKeyIQHFHBQNBOQZTM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.40
Rot. Bonds3

About benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate

benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate (PubChem CID 130993442) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate
PubChem CID130993442
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namebenzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate
SMILESO=C(NC1CCN2CCCC1C2)OCc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)17-15-8-10-18-9-4-7-14(15)11-18/h1-3,5-6,14-15H,4,7-12H2,(H,17,19)
InChIKeyIQHFHBQNBOQZTM-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11425456
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 91439797
(3S,4S)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 145450382
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278
(3S,4R)-1-(2-hydroxyethyl)-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 67503446
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate?
The IUPAC name of benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate (CID 130993442) is benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate.
What is the SMILES notation for benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate?
The canonical SMILES for benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate is O=C(NC1CCN2CCCC1C2)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate?
The InChIKey is IQHFHBQNBOQZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)17-15-8-10-18-9-4-7-14(15)11-18/h1-3,5-6,14-15H,4,7-12H2,(H,17,19).
What are the key properties of benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate?
benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate has a molecular weight of 274.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate is sourced from PubChem (CID 130993442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).