benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate

C22H25N3O4 — CID 129357300

IUPACbenzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate
SMILESO=C(NCC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2)OCc1ccccc1
InChIInChI=1S/C22H25N3O4/c26-21(14-24-22(27)28-15-16-6-2-1-3-7-16)25-17-9-10-18(25)13-19(12-17)29-20-8-4-5-11-23-20/h1-8,11,17-19H,9-10,12-15H2,(H,24,27)/t17-,18-/m0/s1
InChIKeyPAJDZQAQZROSJM-ROUUACIJSA-N
MW395.46 g/mol
LogP2.91
Rot. Bonds6

About benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate

benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate (PubChem CID 129357300) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate
PubChem CID129357300
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namebenzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate
SMILESO=C(NCC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2)OCc1ccccc1
InChIInChI=1S/C22H25N3O4/c26-21(14-24-22(27)28-15-16-6-2-1-3-7-16)25-17-9-10-18(25)13-19(12-17)29-20-8-4-5-11-23-20/h1-8,11,17-19H,9-10,12-15H2,(H,24,27)/t17-,18-/m0/s1
InChIKeyPAJDZQAQZROSJM-ROUUACIJSA-N
XLogP2.91
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
benzyl N-[2-[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]carbamate
CID 98193021
1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 121195266
3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195386
2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195411
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195484
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509
benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121186589
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate (CID 129357300) is benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate is O=C(NCC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate?
The InChIKey is PAJDZQAQZROSJM-ROUUACIJSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(14-24-22(27)28-15-16-6-2-1-3-7-16)25-17-9-10-18(25)13-19(12-17)29-20-8-4-5-11-23-20/h1-8,11,17-19H,9-10,12-15H2,(H,24,27)/t17-,18-/m0/s1.
What are the key properties of benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate?
benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate is sourced from PubChem (CID 129357300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).